English Damion Dooley Raúl González Domínguez Pol Castellano-Escuder FOBI (Food-Biomarker Ontology) is composed of two interconnected sub-ontologies. One is a ”Food Ontology” consisting of raw foods and multiple-ingredient foods while the second is a ”Biomarker Ontology” containing food intake biomarkers classified by their chemical classes. These two sub-ontologies are conceptually independent but interconnected by different properties. This allows data and information regarding foods and food biomarkers to be visualized in a bidirectional way, going from metabolomics to nutritional data or vice versa. Potential applications of this ontology include the annotation of foods and biomarkers using a well-defined and consistent nomenclature, the standardized reporting of metabolomics workflows (e.g. metabolite identification, experimental design), or the application of different enrichment analysis approaches to analyze nutrimetabolomic data. http://creativecommons.org/licenses/by/4.0/ 1.5 Please cite FOBI project http://purl.obolibrary.org/obo/fobi where traditional citation is called for. However it is adequate that individual terms be attributed simply by use of the identifying PURL for the term, in projects that refer to them. ChemSpider HMDB KEGG PubChemCID InChIKey InChICode FOBI defaultLanguage Contributor Creator Description PubmedID alternative term has_obo_format_version FOBI:00422 BiomarkerOf FOBI:00423 HasBiomarker FOBI:00424 Contains FOBI:00425 IsIngredientOf 391274 C10796 442971 TYNQWWGVEGFKRU-AJDPQWBVSA-N InChI=1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3/t19-,20+,21-,22-,24-,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1 FOBI:030714 α-chaconine CHEBI:10219 4444647 C08591 5281235 DMASLKHVQRHNES-FKKUPVFPSA-N InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1 FOBI:030754 β-cryptoxanthin CHEBI:10362 2006614 HMDB00062 C15025 2724480 PHIQHXFUZVPYII-LURJTMIESA-N InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m0/s1 FOBI:030706 l-carnitine CHEBI:11060 89 HMDB00375 C11457 91 QVWAEZJXDYOKEH-UHFFFAOYSA-N InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12) FOBI:030415 3-(3-hydroxyphenyl)propionic acid CHEBI:1427 HMDB02780 C06562 9064 PFTAWBLQPZVEMU-DZGCQCFKSA-N InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1 FOBI:030460 10457459; 11087482; 8717094; 11804530; 15602765; 19266552 10552784; 11087482; 24334093 10606541; 14518950; 14518966; 15137839 10691607; 10820089 10691607; 11600017 10691619; 11330794; 10552784; 10820090; 11087482; 16013828; 24334093 10794642 10820089 10820089; 10606541; 14518966; 11087482 10820089; 11087482 10820089; 11087482; 22327611 10820089; 16719535 10820090 10820090; 11087482; 8717094; 11804530; 15602765; 19266552 10820090; 16013828; 8067536; 10956077; 3425922; 15490130 11087482 11330794; 10552784; 10820090; 11087482; 16013828; 24334093 11513636; 10820089; 15479019 11999391; 10820089 11999391; 23815505 12744665 12848490 14518950; 15137839; 23815505 15182391 15453684; 10820089 15453684; 10820089; 11087482 16076138 16190627 16719535; 17439235 19397716; 22327611 22327611 25581439 25581439; 10820089; 11087482 25631389; 11087482; 11600017 3425922 3425922; 15490130 8067536 8717094 catechin CHEBI:15600 HMDB00956 C00898 | D00103 444305 FEWJPZIEWOKRBE-JCYAYHJZSA-N InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1 FOBI:030630 tartaric acid CHEBI:15671 1113 HMDB00925 C01104 1145 UYPYRKYUKCHHIB-UHFFFAOYSA-N InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3 FOBI:030711 CHEBI:15724 388363 HMDB00033 C00386 439224 | 6992100 CQOVPNPJLQNMDC-ZETCQYMHSA-N InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1 FOBI:030687 CHEBI:15727 11374613 | 11570712 | 14351918 | 14363886 C02724 13597 PQBAWAQIRZIWIV-UHFFFAOYSA-N InChI=1S/C6H8N/c1-7-5-3-2-4-6-7/h2-6H,1H3/q+1 FOBI:030713 CHEBI:15761 4444102 HMDB05800 C01514 5280445 IQPNAANSBPBGFQ-UHFFFAOYSA-N InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H FOBI:030555 10552399; 12650585 10552853 10820084 11087455; 16819902; 24945796 11312761 12650585 15713039 16819902 17031999 22088277 22088277; 9550103 22327611 22344920 24812440 25591122 25591122; 9550103 9550103 9550103; 10820084 9550103; 11312761 CHEBI:15864 10675782 | 1091 HMDB00251 C00245 | D00047 1123 | 4068592 XOAAWQZATWQOTB-UHFFFAOYSA-N InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) FOBI:030709 CHEBI:15891 394156 HMDB03000 C05432 446925 OAIJSZIZWZSQBC-GYZMGTAESA-N InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+ FOBI:030748 CHEBI:15948 15484224 C02824 | D02442 7533 HCAJEUSONLESMK-UHFFFAOYSA-N InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10) FOBI:030625 cyclamate CHEBI:15964 1405788 HMDB03164 C00852 1794427 CWVRJTMFETXNAD-JUHZACGLSA-N InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 FOBI:030397 3-caffeoylquinic acid CHEBI:16112 13760300 | 13835557 C01108 1057 WQGWDDDVZFFDIG-UHFFFAOYSA-N InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H FOBI:030432 16881674 CHEBI:16164 HMDB00207 | HMDB00573 C00712 445639 ZQPPMHVWECSIRJ-KTKRTIGZSA-N InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9- FOBI:030741 CHEBI:16196 C03067 101 IAVREABSGIHHMO-UHFFFAOYSA-N InChI=1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H FOBI:030453 CHEBI:16207 15139441 | 4444051 HMDB05794 C00389 5280343 REFJWTPEDVJJIY-UHFFFAOYSA-N InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H FOBI:030558 10554248; 10691619; 11032478; 9550103; 11312761 10554248; 10691619; 11330794; 11605763; 16013828; 22305355 10727812 10794622 10794622; 11032486 10794622; 9550103; 11032486 10794622; 9550103; 11032486; 16910719 10820084 10898604 10898604; 9550103 11032478 11312761 11330794; 16013828 11453754 11929309 11929309; 15137871; 10794622 11999391 11999391; 23815505 12033817 12188629; 10794622; 9550103; 11032486 12188629; 12033817 12207471; 9550103; 11312761 12452634; 15479019 12848490 14518966 14558771; 14690398; 14640564 15137871 15713039 16013828 16076138 16190627 16756378 17447783; 9550103 19397716 20949919 20949919; 11453754 22088277 22088277; 9550103 22327611 22344920 23815505 24143048 24812440 25591122 25591122; 9550103 9550103 9550103; 10820084 9550103; 10905727 9550103; 11312761 9950080 CHEBI:16243 25001 HMDB00801 C01607 26840 RLCKHJSFHOZMDR-UHFFFAOYSA-N InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22) FOBI:08823 CHEBI:16285 4444237 C17147 5280633 CWVRJTMFETXNAD-NXLLHMKUSA-N InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1 FOBI:030399 5-caffeoylquinic acid CHEBI:16384 780 HMDB00197 C00954 802 SEOVTRFCIGRIMH-UHFFFAOYSA-N InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13) FOBI:030704 CHEBI:16411 9307589 C04831 11132470 WTGXAWKVZMQEDA-XGHDNVSXSA-N InChI=1S/C15H19NO10/c1-23-6-2-3-7-8(4-6)24-15(13(21)16(7)22)26-14-12(20)11(19)10(18)9(5-17)25-14/h2-4,9-12,14-15,17-20,22H,5H2,1H3/t9-,10-,11+,12-,14+,15?/m1/s1 FOBI:030737 2-β-d-glucopyranosyloxy-4-hydroxy-7-methoxy-1,4-benzoxazin-3-one CHEBI:16603 13325157 | 568 HMDB00562 C00791 | D03600 588 DDRJAANPRJIHGJ-UHFFFAOYSA-N InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8) FOBI:030708 CHEBI:16737 HMDB00929 C00078 | D00020 6305 | 6923516 QIVBCDIJIAJPQS-VIFPVBQESA-N InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 FOBI:030701 CHEBI:16828 14879126 | 16373679 | 331 HMDB01895 C00805 | D00097 338 YGSDEFSMJLZEOE-UHFFFAOYSA-N InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) FOBI:030318 2-hydroxybenzoic acid CHEBI:16914 16382018 | 234 HMDB00056 C00099 | D07561 239 | 4755801 UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) FOBI:030691 β-alanine CHEBI:16958 13200746 HMDB00873 C06730 9958 ZBCATMYQYDCTIZ-UHFFFAOYSA-N InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3 FOBI:030447 16881674 CHEBI:17254 HMDB03306 C00774 4788 VGEREEWJJVICBM-UHFFFAOYSA-N InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2 FOBI:030568 11999391 11999391; 23815505 23815505 CHEBI:17276 HMDB00159 C00079 | D00021 6140 | 6925665 COLNVLDHVKWLRT-QMMMGPOBSA-N InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 FOBI:030692 CHEBI:17295 4444066 C00758 5280371 GIJHDGJRTUSBJR-UHFFFAOYSA-N InChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H FOBI:030523 CHEBI:17377 HMDB00755 C03672 9378 JVGVDSSUAVXRDY-UHFFFAOYSA-N InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13) FOBI:030694 p-hydroxyphenyllactic acid CHEBI:17385 1266077 HMDB01964 1549111 QAIPRVGONGVQAS-RQOWECAXSA-N InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2- FOBI:030392 caffeic acid CHEBI:17395 HMDB0000607 C02823 129627537 FDJOLVPMNUYSCM-WZHZPDAFSA-L InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1 FOBI:030744 cyanocobalamin CHEBI:17439 16253543 HMDB00440 C05593 12122 FVMDYYGIDFPZAX-UHFFFAOYSA-N InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) FOBI:030369 CHEBI:17445 4444068 HMDB02338 C00814 5280373 WUADCCWRTIWANL-UHFFFAOYSA-N InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3 FOBI:030547 15712520 16013828 17227055 8789715 CHEBI:17574 4444129 HMDB00561 C02094 5280489 OENHQHLEOONYIE-JLTXGRSLSA-N InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+ FOBI:030747 β-carotene CHEBI:17579 123 | 16234504 HMDB11718 C00633 126 RGHHSNMVTDWUBI-UHFFFAOYSA-N InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H FOBI:030454 12744665 CHEBI:17597 393368 HMDB00954 C01494 445858 709 KSEBMYQBYZTDHS-HWKANZROSA-N InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ FOBI:030406 10554264 10820069 11330794; 20919719; 16013828 11929309 11929309; 15137871 11999391 11999391; 20919719 12033817 12059140 12696980 12744665 12848490 15137871 15233525; 11330794; 16013828 15453684; 12033817 15453684; 16076138 15713039 16013828; 25745209; 25308670; 10956077; 12617582; 3425922; 17109870; 25664918 16076138 16478246 17199318 17227056; 17455952; 25858540 17307195 17307195; 17468851 17447783 18558694 18558694; 15769171 20919719 21538847 21538847; 25646848 22344920 24143048 25308670; 17109870 25410263 25410263; 11032481 25476327; 24424402; 21241992 25646848 25858540 25858540; 10606549 25858540; 17455952 3425922; 17109870; 25664918 3425922; 25664918 CHEBI:17620 4444158 C02564 5280527 CLGNQAIRBLDHIN-HWKANZROSA-N InChI=1S/C12H13NO5/c1-18-10-6-8(2-4-9(10)14)3-5-11(15)13-7-12(16)17/h2-6,14H,7H2,1H3,(H,13,15)(H,16,17)/b5-3+ FOBI:030674 feruloylglycine CHEBI:17691 388383 HMDB02670 C00509 439246 FTVWIRXFELQLPI-ZDUSSCGKSA-N InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1 FOBI:030514 naringenin CHEBI:17846 13285340 | 13839082 HMDB01858 C01468 2879 IWDCLRJOBJJRNH-UHFFFAOYSA-N InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3 FOBI:030698 CHEBI:17847 83292 HMDB06344 C04148 92258 JFLIEFSWGNOPJJ-JTQLQIEISA-N InChI=1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19)/t10-/m0/s1 FOBI:030696 phenylacetylglutamine CHEBI:17884 HMDB00158 C00082 | D00022 6057 | 6942100 OUYCCCASQSFEME-QMMMGPOBSA-N InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 FOBI:030697 CHEBI:17895 HMDB00258 C00089 | D00025 5988 CZMRCDWAGMRECN-UGDNZRGBSA-N InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 FOBI:030757 CHEBI:17992 C04720 2358 GDNZNIJPBQATCZ-UHFFFAOYSA-N InChI=1S/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3 FOBI:030736 2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one CHEBI:18048 4444070 HMDB05808 C00858 5280378 HKQYGTCOTHHOMP-UHFFFAOYSA-N InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3 FOBI:030550 16898863 8789715 CHEBI:18088 10658403 | 451 HMDB00714 C01586 464 QIAFMBKCNZACKA-UHFFFAOYSA-N InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12) FOBI:030340 hippuric acid CHEBI:18089 HMDB00725 C01157 5810 | 6971053 PMMYEEVYMWASQN-DMTCNVIQSA-N InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1 FOBI:08828 4-hydroxyproline CHEBI:18095 124 | 14485716 HMDB00020 C00642 127 XQXPVVBIMDBYFF-UHFFFAOYSA-N InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) FOBI:030370 10820069 16013828 16013828; 25308670 23411296 25308670 CHEBI:18101 11613535 | 14598679 C01987 5801 CDAWCLOXVUBKRW-UHFFFAOYSA-N InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2 FOBI:030671 CHEBI:18112 HMDB00875 C01004 5570 WWNNZCOKKKDOPX-UHFFFAOYSA-N InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3 FOBI:030712 trigonelline CHEBI:18123 553146 HMDB02641 C01772 637540 PMOWTIHVNWZYFI-AATRIKPKSA-N InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+ FOBI:030383 o-coumaric acid CHEBI:18125 11181185 | 11316606 | 13623450 | 13837760 | 14453269 HMDB00957 C00090 | C01785 | C15571 289 YCIMNLLNPGFGHC-UHFFFAOYSA-N InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H FOBI:030444 16881674 CHEBI:18135 HMDB00194 C01262 112072 | 6992114 MYYIAHXIVFADCU-QMMMGPOBSA-N InChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1 FOBI:030688 CHEBI:18323 13860434 HMDB12308 C00755 | D00091 1183 MWOOGOJBHIARFG-UHFFFAOYSA-N InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3 FOBI:030457 10606549 11087455; 25476327 12744665 15233525; 16013828 16013828 CHEBI:18346 4444100 HMDB02124 C01477 5280443 KZNIFHPLKGYRTM-UHFFFAOYSA-N InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H FOBI:030553 10727812 10905727 11087455; 16819902 11312761 15713039 16013828 16819902 17031999 22088277 22088277; 9550103 22327611 22344920 25591122 25591122; 9550103 9550103 9550103; 11312761 CHEBI:18388 HMDB04284 C06044 10393 YCCILVSKPBXVIP-UHFFFAOYSA-N InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2 FOBI:030579 tyrosol CHEBI:1879 82667 C11584 91553 ARQXEQLMMNGFDU-JHZZJYKESA-N InChI=1S/C16H16O9/c1-6-4-10(17)24-9-5-7(2-3-8(6)9)23-16-13(20)11(18)12(19)14(25-16)15(21)22/h2-5,11-14,16,18-20H,1H3,(H,21,22)/t11-,12-,13+,14-,16+/m0/s1 FOBI:030528 4-methylumbelliferone glucuronide CHEBI:1904 76536 C11585 84843 FUYLLJCBCKRIAL-UHFFFAOYSA-N InChI=1S/C10H8O6S/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14/h2-5H,1H3,(H,12,13,14) FOBI:030529 CHEBI:1905 69081 C10809 76617 KVVSCMOUFCNCGX-UHFFFAOYSA-N InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h16-18,22-23H,2-15H2,1H3 FOBI:030718 5-n-pentadecylresorcinol CHEBI:2120 HMDB01860 C13747 4687 QUNWUDVFRNGTCO-UHFFFAOYSA-N InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13) FOBI:030655 paraxanthine CHEBI:25858 HMDB00779 3848 VOXXWSYKYCBWHO-UHFFFAOYSA-N InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12) FOBI:030693 phenyllactic acid CHEBI:25998 4444437 HMDB01388 C06427 5280934 DTOSIQBPPRVQHS-PDBXOOCHSA-N InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9- FOBI:030740 α-linolenic acid CHEBI:27432 61452 HMDB00821 C05598 68144 UTYVDVLMYQPLQB-UHFFFAOYSA-N InChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14) FOBI:030695 CHEBI:27480 4444421 HMDB02789 C06098 5280899 JKQXZKUSFCKOGQ-QAYBQHTQSA-N InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1 FOBI:030750 CHEBI:27547 58494 HMDB00479 C01152 64969 | 6971061 JDHILDINMRGULE-LURJTMIESA-N InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1 FOBI:030690 3-methylhistidine CHEBI:27596 HMDB01847 C07481 | D00528 2519 RYYVLZVUVIJVGH-UHFFFAOYSA-N InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 FOBI:030658 CHEBI:27732 643318 HMDB00955 C10470 736186 QURCVMIEKCOAJU-HWKANZROSA-N InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ FOBI:030407 12744665 CHEBI:27794 HMDB00763 C05635 1826 DUUGKQCEGZLZNO-UHFFFAOYSA-N InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14) FOBI:030705 5-hydroxyindole-3-acetic acid CHEBI:27823 392875 HMDB03747 C03582 445154 LUKBXSAWLPMMSZ-OWOJBTEDSA-N InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+ FOBI:030590 10564012 11312807 11330794; 23871038; 24054241; 16013828; 15998130; 9404057; 15315376; 10691619; 10552542; 12010007; 11605763; 8651480; 22305355; 24334093; 24585496 11330794; 23871038; 24054241; 16013828; 9404057; 10552542; 24334093 15941348 16013828 16076138 17227055 25581439 9404057 9404057; 24334093 trans-resveratrol CHEBI:27881 resveratrol 14881358 | 553123 C01712 637517 ZQPPMHVWECSIRJ-MDZDMXLPSA-N InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+ FOBI:08824 CHEBI:27997 4444448 HMDB03217 C06563 5280961 TZBJGXHYKVUXJN-UHFFFAOYSA-N InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H FOBI:030537 10552401 10552401; 10552547 12597624; 16898863 12597624; 16898863; 9162309 12597624; 19166724; 16898863 12597624; 9492334; 16898863; 9162309 15171918 15171918; 17313151; 24498818; 10552401; 12607743 15171918; 24835762; 9848519; 19530716; 10552401; 10552547; 12607743 15186105 15712520 16898863 17227055 18729461; 16898863 18729461; 8789715 24498818 24498818; 10552401 24498818; 19530716; 9492334; 10552401 24835762; 10552547 24835762; 17386499; 24498818; 19530716; 12607743 24835762; 19530716; 10552401 24835762; 9848519; 19530716; 10552401; 10552547 24835762; 9848519; 24498818; 19530716; 9492334; 10552401; 10552547 8789715 9492334 9848519; 24498818 9848519; 24498818; 10552547; 12607743 CHEBI:28088 HMDB02183 C06429 445580 MBMBGCFOFBJSGT-KUBAVDMBSA-N InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18- FOBI:030743 docosahexaenoic acid CHEBI:28125 HMDB01889 C07130 | D00371 2153 ZFXYFBGIUFBOJW-UHFFFAOYSA-N InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) FOBI:030656 CHEBI:28177 4445025 HMDB03312 C10208 5281708 ZQSIJRDFPHDXIC-UHFFFAOYSA-N InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H FOBI:030530 10552401 10552401; 10552547 10552547 12597624; 16898863 12597624; 16898863; 9162309 12597624; 19166724; 16898863 12597624; 9492334; 16898863; 9162309 15171918 15171918; 17313151; 24498818; 10552401; 12607743 15171918; 9848519; 19530716; 10552401; 10552547; 12607743 15186105 15712520 16898863 17227055 17386499; 24498818; 19530716; 12607743 18729461; 16898863 18729461; 8789715 19530716; 10552401 24498818 24498818; 10552401 24498818; 19530716; 9492334; 10552401 8789715 9492334 9848519; 19530716; 10552401; 10552547 9848519; 24498818 9848519; 24498818; 10552547; 12607743 9848519; 24498818; 19530716; 9492334; 10552401; 10552547 CHEBI:28197 HMDB01999 C06428 | D08061 446284 JAZBEHYOTPTENJ-JLNKQSITSA-N InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15- FOBI:030742 eicosapentaenoic acid CHEBI:28364 59150 HMDB03236 C06543 65727 JVKYZPBMZPJNAJ-OQFNDJACSA-N InChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1 FOBI:030716 CHEBI:28374 14600741 HMDB00669 C05852 11970 CCVYRRGZDBSHFU-UHFFFAOYSA-N InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11) FOBI:030368 2-hydroxyphenylacetic acid CHEBI:28478 4444395 HMDB05801 C05903 5280863 IYRMWMYZSQPJKC-UHFFFAOYSA-N InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H FOBI:030565 10691619; 11032478; 9550103; 11312761 10691619; 11330794; 11605763 10727812 10794622 10794622; 11032486 10794622; 9550103; 11032486 10794622; 9550103; 11032486; 16910719 10898604 10898604; 9550103 10905727 11032478 11312761 11330794 11513636; 12452634 11929309 11929309; 15137871; 10794622 12033817 12188629; 10794622; 9550103; 11032486 12188629; 12033817 12207471; 9550103; 11312761 12517117 12848490 15137871 15186105 16190627 16756378 17447783; 9550103 19397716 22088277 22088277; 9550103 22327611 24143048 25591122 25591122; 9550103 9550103 9550103; 11312761 CHEBI:28499 10658433 | 11337764 | 13834869 | 14859414 | 447 HMDB01398 C01502 | C15572 | D00117 460 LHGVFZTZFXWLCP-UHFFFAOYSA-N InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3 FOBI:030452 CHEBI:28591 C05616 19829 KWCCUYSXAYTNKA-UHFFFAOYSA-N InChI=1S/C8H8O5/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,9-10H,1H3,(H,11,12) FOBI:030358 3-methylgallic acid CHEBI:28647 388775 HMDB00660 C02336 439709 RFSUNEUAIZKAJO-ARQDHWQXSA-N InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1 FOBI:030759 CHEBI:28757 11181178 HMDB02825 C07480 5429 YAPQBXQYLJRXSA-UHFFFAOYSA-N InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13) FOBI:030657 CHEBI:28946 10732368 | 132 | 15957696 HMDB00500 C00156 135 135 | 3702506 FJKROLUGYXJWQN-UHFFFAOYSA-N InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) FOBI:030320 10606549 10820069 11929309 11929309; 15137871 11999391 12059140 12059140; 24334093 12059140; 25646848 12744665 12848490 15137871 15233525; 16013828; 24334093 15713039 16013828; 24334093 16013828; 25745209; 12617582; 25664918 17227056 19397716 21241992 22344920 25646848 25664918 CHEBI:30763 16308565 HMDB02466 C00587 7420 IJFXRHURBJZNAO-UHFFFAOYSA-N InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10) FOBI:030319 12696980 25745209; 12617582 CHEBI:30764 305 HMDB00094 C00158 | D00037 19782904 | 311 | 88113319 KRKNYBCHXYNGOX-UHFFFAOYSA-N InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) FOBI:030631 CHEBI:30769 361 HMDB05807 C01424 370 LNTHITQWFMADLM-UHFFFAOYSA-N InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12) FOBI:030352 11330794; 20919719; 16013828; 24334093 11929309 11999391 11999391; 20919719 12033817 12059140 12059140; 20919719 12059140; 24334093 12744665 12848490 14518966 15233525; 10691619; 11330794; 16013828; 22305355; 24334093 15453684; 12059140 15453684; 12059140; 12033817 15713039 16013828; 25745209; 12617582; 16366710; 25664918 16190627 16218660 16366710 17307195 17307195; 17468851 20919719 22344920 24143048 25646848 25664918 8717094 8717094; 15602765 CHEBI:30778 15694084 HMDB00484 C06672 8468 WKOLLVMJNQIZCI-UHFFFAOYSA-N InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) FOBI:030343 10552399; 10820069 10606549 10820069 11087455; 25476327; 24424402; 21241992 11330794; 16013828; 24334093 12059140 12059140; 24334093 12059140; 25646848 12517117 12744665 12848490 15233525; 11330794; 16013828; 24334093 15713039 16013828; 25745209; 25308670; 12617582; 3425922; 25664918 16478246 17227056 17307195 17307195; 17468851 19397716 22344920 25308670 25646848 3425922; 25664918 CHEBI:30816 391783 C12138 443650 XENHPQQLDPAYIJ-PEVLUNPASA-O InChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p+1/t15-,17-,18+,19-,21-/m1/s1 FOBI:030634 delphinidin 3-glucoside CHEBI:31463 391785 C12140 443652 PXUQTDZNOHRWLI-OXUVVOBNSA-O InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19-,20+,21-,23-/m1/s1 FOBI:030635 malvidin 3-glucoside CHEBI:31799 391782 C12137 443648 ABVCUBUIXWJYSE-GQUPQBGVSA-O InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1/t16-,17-,18+,19-,21-/m1/s1 FOBI:030636 pelargonidin 3-glucoside CHEBI:31967 10685695 C12283 5143 CVHZOJJKTDOEJC-UHFFFAOYSA-N InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9) FOBI:030626 CHEBI:32111 64561 C12285 71485 BAQAVOSOZGMPRM-QBMZZYIRSA-N InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1 FOBI:030627 CHEBI:32159 553147 HMDB01713 C12621 637541 KKSDGJDHHZEWEP-SNAWJCMRSA-N InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+ FOBI:030384 m-coumaric acid CHEBI:32357 HMDB02259 10465 KEMQGTRYUADPNZ-UHFFFAOYSA-N InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19) FOBI:030739 CHEBI:32365 553148 HMDB02035 C00811 637542 NGSWKAQJJWESNS-ZZXKWVIFSA-N InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+ FOBI:030385 p-coumaric acid CHEBI:32374 97287 HMDB11105 C16365 108214 RDZNZFGKEVDNPK-UHFFFAOYSA-N InChI=1S/C8H10N4O4/c1-4(14)10-5-6(9-3-13)11-8(16)12(2)7(5)15/h3H,1-2H3,(H,9,13)(H,10,14)(H,11,16) FOBI:030667 5-acetylamino-6-formylamino-3-methyluracil CHEBI:32643 4444245 HMDB03797 C04056 5280644 JBYXPOFIGCOSSB-GOJKSUSPSA-N InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7+,10-9- FOBI:08826 rumenic acid CHEBI:32798 HMDB02199 C01744 10394 NMHMNPHRMNGLLB-UHFFFAOYSA-N InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12) FOBI:030416 3-(4-hydroxyphenyl)propionic acid CHEBI:32980 82594 HMDB02209 C14131 91469 ADFCQWZHKCXPAJ-GFCCVEGCSA-N InChI=1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2/t12-/m1/s1 FOBI:030544 CHEBI:34741 4925358 6419725 ANVAOWXLWRTKGA-NTXLUARGSA-N InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1 FOBI:030746 α-carotene CHEBI:35147 HMDB04827 C10172 115244 CMUNUTVVOOHQPW-LURJTMIESA-N InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/t6-/m0/s1 FOBI:030685 proline betaine CHEBI:35280 1265933 1548910 LUKBXSAWLPMMSZ-UPHRSURJSA-N InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1- FOBI:030591 CHEBI:36002 4444571 C08367 5281127 UWHZIFQPPBDJPM-BQYQJAHWSA-N InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7+ FOBI:08825 CHEBI:36023 HMDB13173 7424 UYEMGAFJOZZIFP-UHFFFAOYSA-N InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11) FOBI:030330 25745209; 12617582 CHEBI:39912 123979 WMCQWXZMVIETAO-UHFFFAOYSA-N InChI=1S/C12H16O5/c1-3-4-8-7(2)11(12(15)16)9(17-8)5-6-10(13)14/h3-6H2,1-2H3,(H,13,14)(H,15,16) FOBI:030651 3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid CHEBI:41254 HMDB00682 10258 BXFFHSIDQOFMLE-UHFFFAOYSA-N InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12) FOBI:030702 CHEBI:43355 392801 445052 SKCKOFZKJLZSFA-BXKVDMCESA-N InChI=1S/C6H14O5/c1-3(8)5(10)6(11)4(9)2-7/h3-11H,2H2,1H3/t3-,4-,5-,6-/m0/s1 FOBI:030756 rhamnitol CHEBI:45530 HMDB02108 24417 | 7058174 IDIDJDIHTAOVLG-VKHMYHEASA-N InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1 FOBI:030678 CHEBI:45658 C10255 185914 HITJFUSPLYBJPE-UHFFFAOYSA-N InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2 FOBI:030600 CHEBI:4582 58575 HMDB03153 C09731 65064 WMBWREPUVVBILR-WIYYLYMNSA-N InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1 FOBI:030489 epigallocatechin-3-gallate CHEBI:4806 4508619 HMDB03045 5351619 | 57509571 SSISHJJTAXXQAX-ZETCQYMHSA-N InChI=1S/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/t7-/m0/s1 FOBI:030684 CHEBI:4828 308986 HMDB00423 C10447 348154 DZAUWHJDUNRCTF-UHFFFAOYSA-N InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13) FOBI:030422 dihydrocaffeic acid CHEBI:48400 61660 HMDB01991 C16353 68374 PFWLFWPASULGAN-UHFFFAOYSA-N InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12) FOBI:030654 CHEBI:48991 C16700 8768 IBGBGRVKPALMCQ-UHFFFAOYSA-N InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H FOBI:030455 CHEBI:50205 83153 HMDB00001 7020397 | 92105 BRMWTNUJHUMWMS-LURJTMIESA-N InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1 FOBI:030689 1-methylhistidine CHEBI:50599 HMDB00118 C05582 1738 QRMZSPFSDQBLIX-UHFFFAOYSA-N InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12) FOBI:030380 10820069 23411296 25745209; 12617582 CHEBI:545959 homovanillic acid 5406074 7045767 RDHQFKQIGNGIED-MRVPVSSYSA-N InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m1/s1 FOBI:030707 acetyl-l-carnitine CHEBI:57589 4445093 C10468 5281780 UFCLZKMFXSILNL-PSEXTPKNSA-N InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1 FOBI:030400 3,4-dicaffeoylquinic acid CHEBI:5995 4444973 HMDB02655 C10084 5281654 IZQSVPBOUDKVDZ-UHFFFAOYSA-N InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3 FOBI:030562 10691619 10691619; 11312761 11312761 12848490 19397716 20949919 CHEBI:6052 isorhamnetin 11181189 | 63805 HMDB01886 C16357 70639 GMSNIKWWOQHZGF-UHFFFAOYSA-N InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12) FOBI:030653 3-methylxanthine CHEBI:62207 26511 C15770 28495 COVOPZQGJGUPEY-UHFFFAOYSA-N InChI=1S/C8H7NO4/c10-7-8(11)13-6-4-2-1-3-5(6)9(7)12/h1-4,8,11-12H FOBI:030732 2,4-dihydroxy-1,4-benzoxazin-3-one CHEBI:63558 285673 C15769 322636 VMQBFYRBJKDACN-UHFFFAOYSA-N InChI=1S/C8H7NO3/c10-7-8(11)12-6-4-2-1-3-5(6)9-7/h1-4,8,11H,(H,9,10) FOBI:030726 2-hydroxy-1,4-benzoxazin-3-one CHEBI:63559 12575 LBKFGYZQBSGRHY-UHFFFAOYSA-N InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11 FOBI:030346 isovanillic acid CHEBI:63798 187488 IQWLPDPKVFZEOK-UHFFFAOYSA-N InChI=1S/C9H10O6S/c10-9(11)5-4-7-2-1-3-8(6-7)15-16(12,13)14/h1-3,6H,4-5H2,(H,10,11)(H,12,13,14) FOBI:08681 3-(3-hydroxyphenyl)propionic acid sulfate CHEBI:64414 14080972 | 510 HMDB00744 C00711 | C03668 | D04843 20130941 | 525 BJEPYKJPYRNKOW-UHFFFAOYSA-N InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9) FOBI:030632 CHEBI:6650 66312 HMDB02392 C16939 73659 MDZKJHQSJHYOHJ-LLICELPBSA-N InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1 FOBI:030753 CHEBI:66682 HMDB02085 C10833 10742 JMSVCTWVEWCHDZ-UHFFFAOYSA-N InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12) FOBI:030349 10820069 11330794; 20919719; 16013828; 24334093 11999391 11999391; 20919719 12059140 12059140; 20919719 12059140; 24334093 12059140; 25646848 12744665 15233525; 11330794; 16013828; 24334093 15713039 16013828; 25745209; 25308670; 12617582; 3425922; 25664918 16478246 17227056 17307195 17307195; 17468851 20919719 22344920 24424402; 21241992 25308670 25646848 3425922; 25664918 CHEBI:68329 62926 HMDB03099 C16359 69726 QFDRTQONISXGJA-UHFFFAOYSA-N InChI=1S/C6H6N4O3/c1-10-4(11)2-3(9-6(10)13)8-5(12)7-2/h1H3,(H,9,13)(H2,7,8,12) FOBI:030659 CHEBI:68441 72464 HMDB10738 C16358 80220 MVOYJPOZRLFTCP-UHFFFAOYSA-N InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12) FOBI:030652 1-methylxanthine CHEBI:68444 63527 HMDB01857 70346 OTSBKHHWSQYEHK-UHFFFAOYSA-N InChI=1S/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13) FOBI:030662 CHEBI:68447 82720 HMDB11103 C16356 91611 NOFNCLGCUJJPKU-UHFFFAOYSA-N InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14) FOBI:030663 CHEBI:68449 9338 AKEUNCKRJATALU-UHFFFAOYSA-N InChI=1S/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11) FOBI:030328 25745209; 12617582 CHEBI:68465 2341024 3083879 MZPWKJZDOCIALD-UHFFFAOYSA-N InChI=1S/C6H6O5S/c7-5-3-1-2-4-6(5)11-12(8,9)10/h1-4,7H,(H,8,9,10) FOBI:030446 catechol sulfate CHEBI:68505 74994 HMDB01982 C16360 83126 HMLZLHKHNBLLJD-UHFFFAOYSA-N InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)11(2)7(14)9-5(3)12/h1-2H3,(H,8,13)(H,9,12,14) FOBI:030664 CHEBI:68531 74680 HMDB05784 82755 JUUBCHWRXWPFFH-UHFFFAOYSA-N InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2 FOBI:030582 10552399; 12650585; 10820069 11087455; 25655098; 16608197; 25476327; 16819902; 24945796; 24424402; 19166732 12537439; 16608222; 15713026; 10908812; 16968073; 23411296 12650585; 10820069 24334093 25655098; 10908812; 16819902 CHEBI:68889 71754 HMDB02123 C16361 79437 BYXCFUMGEBZDDI-UHFFFAOYSA-N InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14) FOBI:030665 CHEBI:691622 1,3,7-trimethyluric acid 5360404 6992261 XLUAWXQORJEMBD-YUMQZZPRSA-N InChI=1S/C10H16N2O2/c1-6(2)8-10(14)12-5-3-4-7(12)9(13)11-8/h6-8H,3-5H2,1-2H3,(H,11,13)/t7-,8-/m0/s1 FOBI:030669 cyclo(l-prolyl-l-valyl) CHEBI:69439 HMDB06116 450268 XDOFWFNMYJRHEW-UHFFFAOYSA-N InChI=1S/C9H9NO4/c11-7-3-1-2-6(4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13) FOBI:030342 3-hydroxyhippuric acid CHEBI:70824 133104 151012 ZMHLUFWWWPBTIU-UHFFFAOYSA-N InChI=1S/C9H9NO4/c11-7-3-1-6(2-4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13) FOBI:030341 4-hydroxyhippuric acid CHEBI:71018 2341148 HMDB10313 3084023 JSCWDKKMLIQCMR-CDHFTJPESA-N InChI=1S/C13H14O9/c14-7-8(15)10(12(19)20)22-13(9(7)16)21-6-4-2-1-3-5(6)11(17)18/h1-4,7-10,13-16H,(H,17,18)(H,19,20)/t7-,8-,9+,10-,13+/m0/s1 FOBI:030321 2-hydroxybenzoic acid glucuronide CHEBI:73961 C16759 40424388 | 9793905 ZFAHNWWNDFHPOH-YFKPBYRVSA-N InChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1 FOBI:030676 CHEBI:74077 C17639 122738 XFZJEEAOWLFHDH-NFJBMHMQSA-N InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1 FOBI:030490 CHEBI:75632 4477252 5318759 FNTJVYCFNVUBOL-ZUGPOPFOSA-N InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)/t14-,15-,16+,19-,21+/m0/s1 FOBI:030566 10995297 12381146 kaempferol 3-glucuronide CHEBI:75721 8429271 10253785 JDOFZOKGCYYUER-ZFORQUDYSA-N InChI=1S/C21H18O12/c22-8-4-10(24)15-11(25)6-12(31-14(15)5-8)7-1-2-9(23)13(3-7)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1 FOBI:030556 luteolin 3'-glucuronide CHEBI:75726 58567 65056 LSHVYAFMTMFKBA-FPOVZHCZSA-N InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m0/s1 FOBI:030485 epicatechin-3-gallate CHEBI:76126 553361 C00482 10743 637775 PCMORTLOPMLEFB-ONEGZZNKSA-N InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+ FOBI:030412 10554264 10820069 11999391 11999391; 20919719 15233525; 16013828; 24334093 16013828; 25308670; 12617582; 3425922; 17109870; 25664918 17199318 20919719 20919719; 16013828; 24334093 24334093 25308670; 17109870 25410263 25410263; 11032481 25646848 3425922; 17109870; 25664918 3425922; 25664918 CHEBI:77131 sinapic acid 4475737 C15772 5316752 OUSLYTBGQGKTME-BJPDSMLBSA-N InChI=1S/C14H17NO9/c16-5-8-9(17)10(18)11(19)13(23-8)24-14-12(20)15(21)6-3-1-2-4-7(6)22-14/h1-4,8-11,13-14,16-19,21H,5H2/t8-,9-,10+,11-,13+,14?/m1/s1 FOBI:030733 2-β-d-glucopyranosyloxy-4-hydroxy-1,4-benzoxazin-3-one CHEBI:80091 HMDB05056 C18166 115089 DWONJCNDULPHLV-HOTGVXAUSA-N InChI=1S/C18H22O4/c19-11-15(7-13-3-1-5-17(21)9-13)16(12-20)8-14-4-2-6-18(22)10-14/h1-6,9-10,15-16,19-22H,7-8,11-12H2/t15-,16-/m0/s1 FOBI:030615 CHEBI:81556 4445034 C10275 5281718 HSTZMXCBWJGKHG-CUYWLFDKSA-N InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1 FOBI:030605 CHEBI:8198 43109 C19331 47364 SPTHHTGLGVZZRH-UHFFFAOYSA-N InChI=1S/C5H11AsO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3 FOBI:030710 CHEBI:82392 HMDB00439 21863 KSPQDMRTZZYQLM-UHFFFAOYSA-N InChI=1S/C7H7NO4/c9-6(10)4-8-7(11)5-2-1-3-12-5/h1-3H,4H2,(H,8,11)(H,9,10) FOBI:030649 CHEBI:82912 HMDB11635 4615423 WGNAKZGUSRVWRH-UHFFFAOYSA-N InChI=1S/C7H8O4S/c1-6-2-4-7(5-3-6)11-12(8,9)10/h2-5H,1H3,(H,8,9,10) FOBI:030699 CHEBI:82914 86583349 KAVKAZLSONPCRU-UHFFFAOYSA-N InChI=1S/C14H14O6S/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(8-11)20-21(17,18)19/h3-9,15-16H,1-2H2,(H,17,18,19) FOBI:030603 dihydroresveratrol 3-sulfate CHEBI:84038 86583350 NXXGJRZWYCYPCB-HBWRTXEVSA-N InChI=1S/C20H22O9/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h3-9,15-18,20-25H,1-2H2,(H,26,27)/t15-,16-,17+,18-,20+/m0/s1 FOBI:030601 dihydroresveratrol 3-glucuronide CHEBI:84039 25113755 DULQFFCIVGYOFH-OWOJBTEDSA-N InChI=1S/C14H12O6S/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(8-11)20-21(17,18)19/h1-9,15-16H,(H,17,18,19)/b2-1+ FOBI:030596 trans-resveratrol 3-sulfate CHEBI:84040 144333 C08269 164642 MUNWAHDYFVYIKH-RITPCOANSA-N InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5-,6+/m1/s1 FOBI:030686 4-hydroxyproline betaine CHEBI:85533 65230 HMDB0001871 HMDB01871 C09727 72276 PFTAWBLQPZVEMU-UKRRQHHQSA-N InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1 FOBI:030461 10457459; 11087482; 8717094; 11804530; 20109129; 15602765; 19266552 10552763; 14518950; 15137839; 23815505 10552784; 11087482; 24334093 10606541; 14518950; 14518966; 15137839 10691619; 11330794; 10552784; 10820090; 11087482; 16013828; 24334093 10794642 10820089 10820089; 10606541; 14518966; 11087482 10820089; 11087482 10820089; 11087482; 22327611 10820089; 11210120; 16719535 10820089; 16719535 10820090 10820090; 11087482; 8717094; 11804530; 20109129; 15602765; 19266552 10820090; 16013828; 8067536; 3425922; 15490130 10820090; 17439235 11087482 11087482; 11600017 11210120; 16719535; 17439235 11261721 11330794; 10552784; 10820090; 11087482; 16013828; 24334093 11513636; 10820089; 15630226; 15479019 11600017 11999391; 10820089 11999391; 23815505 12744665 12848490 15182391 15453684; 10820089 15453684; 10820089; 11087482 19397716; 22327611 22327611 23101762 25581439 25581439; 10820089; 11087482 3425922 3425922; 15490130 8067536 8717094 CHEBI:90 epicatechin HMDB00840 C07588 10253 ONJSZLXSECQROL-UHFFFAOYSA-N InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13) FOBI:08827 CHEBI:9008 2-hydroxyhippuric acid 59019 C10826 65576 XYNPYHXGMWJBLV-VXPJTDKGSA-N InChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1 FOBI:030717 CHEBI:9629 FOBI:0001 FOBI:0001 Foods FOBI:0018 FOBI:0018 Unfermented milk products FOBI:0021 FOBI:0021 Fermented alcohols FOBI:0024 FOBI:0024 Infusions FOBI:0048 FOBI:0048 Fruits and vegetables FOBI:007928 FOBI:007928 blanquette FOBI:007936 FOBI:007936 vegetarian bolognese FOBI:007943 FOBI:007943 vegetarian fajitas FOBI:007945 FOBI:007945 filled FOBI:007950 FOBI:007950 vegetarian lasagne FOBI:007956 FOBI:007956 vegetarian pizza FOBI:007960 FOBI:007960 vegetarian quiche FOBI:007974 FOBI:007974 vegetarian taco FOBI:007978 FOBI:007978 meat wrap FOBI:007979 FOBI:007979 vegetarian wrap FOBI:007981 FOBI:007981 vegetarian chilli FOBI:007984 FOBI:007984 vegetarian curry FOBI:007986 FOBI:007986 vegetarian omelette FOBI:0092 FOBI:0092 Dark yellow vegetables FOBI:0099 FOBI:0099 Fat vegetables FOBI:0101 FOBI:0101 Fruity vegetables FOBI:0125 FOBI:0125 Onion family vegetables FOBI:0135 FOBI:0135 Nuts and legumes FOBI:0142 FOBI:0142 cereal FOBI:0145 FOBI:0145 Whole grain cereal products FOBI:0148 FOBI:0148 wholegrain FOBI:01501 FOBI:01501 Biomarkers FOBI:0166 FOBI:0166 Baking goods FOBI:0168 FOBI:0168 Confectioneries FOBI:0185 FOBI:0185 Lean meat FOBI:0193 FOBI:0193 Red meat ZXNABXFYKZWAPQ-UHFFFAOYSA-N InChI=1S/C13H14O9/c14-7-8(15)10(12(19)20)22-13(9(7)16)21-6-3-1-2-5(4-6)11(17)18/h1-4,7-10,13-16H,(H,17,18)(H,19,20) FOBI:030322 FOBI:030322 3-hydroxybenzoic acid glucuronide DKNOHNCMCYDVLT-UHFFFAOYSA-N InChI=1S/C13H14O9/c14-7-8(15)10(12(19)20)22-13(9(7)16)21-6-3-1-5(2-4-6)11(17)18/h1-4,7-10,13-16H,(H,17,18)(H,19,20) FOBI:030323 FOBI:030323 4-hydroxybenzoic acid glucuronide 8373808 10198308 MOODSJOROWROTO-UHFFFAOYSA-N InChI=1S/C7H6O6S/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12/h1-4H,(H,8,9)(H,10,11,12) FOBI:030324 FOBI:030324 2-hydroxybenzoic acid sulfate 19994151 21126437 MZYPOJMKJHCOQG-UHFFFAOYSA-N InChI=1S/C7H6O6S/c8-7(9)5-2-1-3-6(4-5)13-14(10,11)12/h1-4H,(H,8,9)(H,10,11,12) FOBI:030325 FOBI:030325 3-hydroxybenzoic acid sulfate 18690341 RJTYSXVYCZAUHE-UHFFFAOYSA-N InChI=1S/C7H6O6S/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H,8,9)(H,10,11,12) FOBI:030326 FOBI:030326 4-hydroxybenzoic acid sulfate 1446 1491 UIAFKZKHHVMJGS-UHFFFAOYSA-N InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11) FOBI:030327 FOBI:030327 2,4-dihydroxybenzoic acid 71 HMDB01856 C00230 72 YQUVCSBJEUQKSH-UHFFFAOYSA-N InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11) FOBI:030329 FOBI:030329 3,4-dihydroxybenzoic acid 71316220 CXNFDJSOAJNKSU-CDHFTJPESA-N InChI=1S/C13H14O10/c14-5-2-1-4(11(18)19)3-6(5)22-13-9(17)7(15)8(16)10(23-13)12(20)21/h1-3,7-10,13-17H,(H,18,19)(H,20,21)/t7-,8-,9+,10-,13+/m0/s1 FOBI:030331 FOBI:030331 3,4-dihydroxybenzoic acid 3-glucuronide NLCBCVGRBFNEJE-CDHFTJPESA-N InChI=1S/C13H14O10/c14-5-3-4(11(18)19)1-2-6(5)22-13-9(17)7(15)8(16)10(23-13)12(20)21/h1-3,7-10,13-17H,(H,18,19)(H,20,21)/t7-,8-,9+,10-,13+/m0/s1 FOBI:030332 FOBI:030332 3,4-dihydroxybenzoic acid 4-glucuronide LEONNYUSLXUBTI-CDHFTJPESA-N InChI=1S/C13H14O10/c14-5-1-4(11(18)19)2-6(3-5)22-13-9(17)7(15)8(16)10(23-13)12(20)21/h1-3,7-10,13-17H,(H,18,19)(H,20,21)/t7-,8-,9+,10-,13+/m0/s1 FOBI:030333 FOBI:030333 3,5-dihydroxybenzoic acid glucuronide 71316222 GSFKEOSQCKWCLH-UHFFFAOYSA-N InChI=1S/C7H6O7S/c8-5-2-1-4(7(9)10)3-6(5)14-15(11,12)13/h1-3,8H,(H,9,10)(H,11,12,13) FOBI:030336 FOBI:030336 3,4-dihydroxybenzoic acid 3-sulfate 195945 NGQYUDIZIPNWJV-UHFFFAOYSA-N InChI=1S/C7H6O7S/c8-5-3-4(7(9)10)1-2-6(5)14-15(11,12)13/h1-3,8H,(H,9,10)(H,11,12,13) FOBI:030337 FOBI:030337 3,4-dihydroxybenzoic acid 4-sulfate NDZHPENMJGDGPX-UHFFFAOYSA-N InChI=1S/C7H6O7S/c8-5-1-4(7(9)10)2-6(3-5)14-15(11,12)13/h1-3,8H,(H,9,10)(H,11,12,13) FOBI:030338 FOBI:030338 3,5-dihydroxybenzoic acid sulfate BSTDQIXKAVCPLC-JLERCCTOSA-N InChI=1S/C14H16O10/c1-22-7-4-5(2-3-6(7)15)13(21)24-14-10(18)8(16)9(17)11(23-14)12(19)20/h2-4,8-11,14-18H,1H3,(H,19,20)/t8-,9-,10+,11-,14?/m0/s1 FOBI:030344 FOBI:030344 vanillic acid glucuronide 382946 TXRKUXPAEPOCIX-UHFFFAOYSA-N InChI=1S/C8H8O7S/c1-14-7-4-5(8(9)10)2-3-6(7)15-16(11,12)13/h2-4H,1H3,(H,9,10)(H,11,12,13) FOBI:030345 FOBI:030345 vanillic acid sulfate HATMKBLUSXVYDS-JLERCCTOSA-N InChI=1S/C14H16O10/c1-22-7-3-2-5(4-6(7)15)13(21)24-14-10(18)8(16)9(17)11(23-14)12(19)20/h2-4,8-11,14-18H,1H3,(H,19,20)/t8-,9-,10+,11-,14?/m0/s1 FOBI:030347 FOBI:030347 isovanillic acid glucuronide VSFFJSSUGMYRMP-UHFFFAOYSA-N InChI=1S/C8H8O7S/c1-14-6-3-2-5(8(9)10)4-7(6)15-16(11,12)13/h2-4H,1H3,(H,9,10)(H,11,12,13) FOBI:030348 FOBI:030348 isovanillic acid sulfate WOGNQDHJFYPQMD-YGMDGNCASA-N InChI=1S/C15H18O11/c1-23-6-3-5(13(19)20)4-7(24-2)11(6)25-15-10(18)8(16)9(17)12(26-15)14(21)22/h3-4,8-10,12,15-18H,1-2H3,(H,19,20)(H,21,22)/t8-,9-,10+,12-,15+/m0/s1 FOBI:030350 FOBI:030350 syringic acid glucuronide RUXRRHGJTRVOSL-UHFFFAOYSA-N InChI=1S/C9H10O8S/c1-15-6-3-5(9(10)11)4-7(16-2)8(6)17-18(12,13)14/h3-4H,1-2H3,(H,10,11)(H,12,13,14) FOBI:030351 FOBI:030351 syringic acid sulfate WGYCQDRFPFTOJY-UHFFFAOYSA-N InChI=1S/C13H14O11/c14-4-1-3(11(19)20)2-5(6(4)15)23-13-9(18)7(16)8(17)10(24-13)12(21)22/h1-2,7-10,13-18H,(H,19,20)(H,21,22) FOBI:030353 FOBI:030353 gallic acid 3-glucuronide DSZHBCQGMXJFGB-UHFFFAOYSA-N InChI=1S/C13H14O11/c14-4-1-3(11(19)20)2-5(15)9(4)23-13-8(18)6(16)7(17)10(24-13)12(21)22/h1-2,6-8,10,13-18H,(H,19,20)(H,21,22) FOBI:030354 FOBI:030354 gallic acid 4-glucuronide GDGXJKFVYIFICY-UHFFFAOYSA-N InChI=1S/C7H6O8S/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h1-2,8-9H,(H,10,11)(H,12,13,14) FOBI:030355 FOBI:030355 gallic acid 3-sulfate DMNOQQUULVKPTE-UHFFFAOYSA-N InChI=1S/C7H6O8S/c8-4-1-3(7(10)11)2-5(9)6(4)15-16(12,13)14/h1-2,8-9H,(H,10,11)(H,12,13,14) FOBI:030356 FOBI:030356 gallic acid 4-sulfate 70398 HMDB13198 78016 UBXDWYFLYYJQFR-UHFFFAOYSA-N InChI=1S/C8H8O5/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3,9-10H,1H3,(H,11,12) FOBI:030357 FOBI:030357 4-methylgallic acid 13250 VFPFQHQNJCMNBZ-UHFFFAOYSA-N InChI=1S/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3 FOBI:030365 FOBI:030365 ethylgallate AYYKZKTZUDGRGL-QKZHPOIUSA-N InChI=1S/C15H18O11/c1-2-24-14(23)5-3-6(16)8(17)7(4-5)25-15-11(20)9(18)10(19)12(26-15)13(21)22/h3-4,9-12,15-20H,2H2,1H3,(H,21,22)/t9-,10-,11+,12-,15+/m0/s1 FOBI:030366 FOBI:030366 ethylgallate 3-glucuronide JRHRIYQMDUZNBA-UHFFFAOYSA-N InChI=1S/C9H10O8S/c1-2-16-9(12)5-3-6(10)8(11)7(4-5)17-18(13,14)15/h3-4,10-11H,2H2,1H3,(H,13,14,15) FOBI:030367 FOBI:030367 ethylgallate 3-sulfate MLBYCKGONSBJSK-IYJSFKGYSA-N InChI=1S/C17H22O6/c1-9-10(2)15(16(20)21)23-17(11(9)3)22-13-7-5-4-6-12(13)8-14(18)19/h4-7,9-11,15,17H,8H2,1-3H3,(H,18,19)(H,20,21)/t9-,10?,11?,15-,17+/m0/s1 FOBI:030371 FOBI:030371 2-hydroxyphenylacetic acid glucuronide UJBQYMIQTYWRFA-UHFFFAOYSA-N InChI=1S/C14H16O9/c15-8(16)5-6-2-1-3-7(4-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-4,9-12,14,17-19H,5H2,(H,15,16)(H,20,21) FOBI:030372 FOBI:030372 3-hydroxyphenylacetic acid glucuronide DPTGYOOHBJLCOL-UHFFFAOYSA-N InChI=1S/C14H16O9/c15-8(16)5-6-1-3-7(4-2-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-4,9-12,14,17-19H,5H2,(H,15,16)(H,20,21) FOBI:030373 FOBI:030373 4-hydroxyphenylacetic acid glucuronide SXQLBARVXZQRLB-UHFFFAOYSA-N InChI=1S/C8H8O6S/c9-8(10)5-6-3-1-2-4-7(6)14-15(11,12)13/h1-4H,5H2,(H,9,10)(H,11,12,13) FOBI:030374 FOBI:030374 2-hydroxyphenylacetic acid sulfate VBCLPDSIELLWDI-UHFFFAOYSA-N InChI=1S/C8H8O6S/c9-8(10)5-6-2-1-3-7(4-6)14-15(11,12)13/h1-4H,5H2,(H,9,10)(H,11,12,13) FOBI:030375 FOBI:030375 3-hydroxyphenylacetic acid sulfate IIODELUADFSHIZ-UHFFFAOYSA-N InChI=1S/C8H8O6S/c9-8(10)5-6-1-3-7(4-2-6)14-15(11,12)13/h1-4H,5H2,(H,9,10)(H,11,12,13) FOBI:030376 FOBI:030376 4-hydroxyphenylacetic acid sulfate 15765504 | 532 HMDB01336 C01161 547 CFFZDZCDUFSOFZ-UHFFFAOYSA-N InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12) FOBI:030377 10820069 FOBI:030377 3,4-dihydroxyphenylacetic acid CXBMXYMXMRBMJY-DKBOKBLXSA-N InChI=1S/C15H18O10/c1-23-8-4-6(5-9(16)17)2-3-7(8)24-15-12(20)10(18)11(19)13(25-15)14(21)22/h2-4,10-13,15,18-20H,5H2,1H3,(H,16,17)(H,21,22)/t10-,11-,12+,13-,15+/m0/s1 FOBI:030381 FOBI:030381 homovanillic acid 4-glucuronide HMDB11719 29981063 IACOAKYXFIWAQN-UHFFFAOYSA-N InChI=1S/C9H10O7S/c1-15-8-4-6(5-9(10)11)2-3-7(8)16-17(12,13)14/h2-4H,5H2,1H3,(H,10,11)(H,12,13,14) FOBI:030382 FOBI:030382 homovanillic acid 4-sulfate KRKMNGLGYXJMBZ-WAYWQWQTSA-N InChI=1S/C15H16O9/c16-9(17)6-5-7-3-1-2-4-8(7)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h1-6,10-13,15,18-20H,(H,16,17)(H,21,22)/b6-5- FOBI:030386 FOBI:030386 o-coumaric acid glucuronide XPCHMFOWDFTFNV-SNAWJCMRSA-N InChI=1S/C15H16O9/c16-9(17)5-4-7-2-1-3-8(6-7)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h1-6,10-13,15,18-20H,(H,16,17)(H,21,22)/b5-4+ FOBI:030387 FOBI:030387 m-coumaric acid glucuronide 71314996 SOKJXEKPKWKYKR-KPGYTNHDSA-N InChI=1S/C15H16O9/c16-9(17)6-3-7-1-4-8(5-2-7)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h1-6,10-13,15,18-20H,(H,16,17)(H,21,22)/b6-3+/t10-,11-,12+,13-,15+/m0/s1 FOBI:030388 FOBI:030388 p-coumaric acid glucuronide 59950526 BTRJLVGUHCECAH-UHFFFAOYSA-N InChI=1S/C9H8O6S/c10-9(11)6-5-7-3-1-2-4-8(7)15-16(12,13)14/h1-6H,(H,10,11)(H,12,13,14) FOBI:030389 FOBI:030389 o-coumaric acid sulfate 4947175 6443141 YPXHXDXMTWPQTO-SNAWJCMRSA-N InChI=1S/C9H8O6S/c10-9(11)5-4-7-2-1-3-8(6-7)15-16(12,13)14/h1-6H,(H,10,11)(H,12,13,14)/b5-4+ FOBI:030390 FOBI:030390 m-coumaric acid sulfate 4797737 6070438 OYDCCWNLILCHDJ-ZZXKWVIFSA-N InChI=1S/C9H8O6S/c10-9(11)6-3-7-1-4-8(5-2-7)15-16(12,13)14/h1-6H,(H,10,11)(H,12,13,14)/b6-3+ FOBI:030391 FOBI:030391 p-coumaric acid sulfate 25171992 BSOMSDFTZKNUHY-ZYZFHZPYSA-N InChI=1S/C15H16O10/c16-7-3-1-6(2-4-9(17)18)5-8(7)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h1-5,10-13,15-16,19-21H,(H,17,18)(H,22,23)/b4-2+/t10-,11-,12+,13-,15+/m0/s1 FOBI:030393 FOBI:030393 caffeic acid 3-glucuronide 25171780 LTGOIJNQWZWJRF-ZYZFHZPYSA-N InChI=1S/C15H16O10/c16-7-5-6(2-4-9(17)18)1-3-8(7)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h1-5,10-13,15-16,19-21H,(H,17,18)(H,22,23)/b4-2+/t10-,11-,12+,13-,15+/m0/s1 FOBI:030394 FOBI:030394 caffeic acid 4-glucuronide 102261219 VWQNTRNACRFUCQ-DUXPYHPUSA-N InChI=1S/C9H8O7S/c10-7-3-1-6(2-4-9(11)12)5-8(7)16-17(13,14)15/h1-5,10H,(H,11,12)(H,13,14,15)/b4-2+ FOBI:030395 FOBI:030395 caffeic acid 3-sulfate 21668705 SNVAIAITQIIEMQ-DUXPYHPUSA-N InChI=1S/C9H8O7S/c10-7-5-6(2-4-9(11)12)1-3-8(7)16-17(13,14)15/h1-5,10H,(H,11,12)(H,13,14,15)/b4-2+ FOBI:030396 FOBI:030396 caffeic acid 4-sulfate 5315600 9798666 GYFFKZTYYAFCTR-AVXJPILUSA-N InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1 FOBI:030398 11087511 12059140 15740013 25308670 FOBI:030398 4-caffeoylquinic acid 4976336 6474310 KRZBCHWVBQOTNZ-RDJMKVHDSA-N InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1 FOBI:030401 11312873 15740013 FOBI:030401 3,5-dicaffeoylquinic acid 4976335 6474309 UFCLZKMFXSILNL-RVXRWRFUSA-N InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1 FOBI:030402 15740013 FOBI:030402 4,5-dicaffeoylquinic acid 8309124 10133609 5317346 RAGZUCNPTLULOL-KQJPBSFVSA-N InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1 FOBI:030403 11312873 FOBI:030403 3-feruloylquinic acid 8352553 10177048 VTMFDSJJVNQXLT-XQCMRRNBSA-N InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15?,17?/m1/s1 FOBI:030404 11312873 15740013 FOBI:030404 4-feruloylquinic acid 15901362 RAGZUCNPTLULOL-LWOZFZEPSA-N InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1 FOBI:030405 11312873 15740013 FOBI:030405 5-feruloylquinic acid 4947174 6443140 TWSIWBHKRJLZCF-MBAOVNHDSA-N InChI=1S/C16H18O10/c1-24-9-6-7(3-5-10(17)18)2-4-8(9)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2-6,11-14,16,19-21H,1H3,(H,17,18)(H,22,23)/b5-3+/t11-,12-,13+,14-,16+/m0/s1 FOBI:030408 FOBI:030408 ferulic acid 4-glucuronide 49844484 SHJZLGVIOYFHCB-MBAOVNHDSA-N InChI=1S/C16H18O10/c1-24-8-4-2-7(3-5-10(17)18)6-9(8)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2-6,11-14,16,19-21H,1H3,(H,17,18)(H,22,23)/b5-3+/t11-,12-,13+,14-,16+/m0/s1 FOBI:030409 FOBI:030409 isoferulic acid 3-glucuronide 4878542 6305574 PZPATWACAAOHTJ-HWKANZROSA-N InChI=1S/C10H10O7S/c1-16-9-6-7(3-5-10(11)12)2-4-8(9)17-18(13,14)15/h2-6H,1H3,(H,11,12)(H,13,14,15)/b5-3+ FOBI:030410 FOBI:030410 ferulic acid 4-sulfate 71749556 DCMKMHVTKFJMAU-HWKANZROSA-N InChI=1S/C10H10O7S/c1-16-8-4-2-7(3-5-10(11)12)6-9(8)17-18(13,14)15/h2-6H,1H3,(H,11,12)(H,13,14,15)/b5-3+ FOBI:030411 FOBI:030411 isoferulic acid 3-sulfate SVMPWPWAQOHKHG-UOZBHZCFSA-N InChI=1S/C17H20O11/c1-25-8-5-7(3-4-10(18)19)6-9(26-2)14(8)27-17-13(22)11(20)12(21)15(28-17)16(23)24/h3-6,11-13,15,17,20-22H,1-2H3,(H,18,19)(H,23,24)/t11-,12-,13+,15-,17+/m0/s1 FOBI:030413 FOBI:030413 sinapic acid glucuronide KJWQVTFGBFEXMV-ONEGZZNKSA-N InChI=1S/C11H12O8S/c1-17-8-5-7(3-4-10(12)13)6-9(18-2)11(8)19-20(14,15)16/h3-6H,1-2H3,(H,12,13)(H,14,15,16)/b4-3+ FOBI:030414 FOBI:030414 sinapic acid sulfate 161525 ITPFIKQWNDGDLG-UHFFFAOYSA-N InChI=1S/C9H10O4/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h3-5,10-11H,1-2H2,(H,12,13) FOBI:030419 FOBI:030419 3-(3,5-dihydroxyphenyl)propionic acid IITQLVPAMWYCDQ-DKBOKBLXSA-N InChI=1S/C15H18O10/c16-7-3-6(1-2-9(17)18)4-8(5-7)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h3-5,10-13,15-16,19-21H,1-2H2,(H,17,18)(H,22,23)/t10-,11-,12+,13-,15+/m0/s1 FOBI:030420 FOBI:030420 3-(3,5-dihydroxyphenyl)propionic acid glucuronide WEPNMLSXEATIJK-UHFFFAOYSA-N InChI=1S/C9H10O7S/c10-7-5-6(2-4-9(11)12)1-3-8(7)16-17(13,14)15/h1,3,5,10H,2,4H2,(H,11,12)(H,13,14,15) FOBI:030421 FOBI:030421 3-(3,5-dihydroxyphenyl)propionic acid sulfate 49844972 AELQNMHOLDHBFA-DKBOKBLXSA-N InChI=1S/C15H18O10/c16-7-3-1-6(2-4-9(17)18)5-8(7)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h1,3,5,10-13,15-16,19-21H,2,4H2,(H,17,18)(H,22,23)/t10-,11-,12+,13-,15+/m0/s1 FOBI:030423 FOBI:030423 dihydrocaffeic acid 3-glucuronide 49844181 MIMULQQHBAZGER-UHFFFAOYSA-N InChI=1S/C9H10O7S/c10-7-3-1-6(2-4-9(11)12)5-8(7)16-17(13,14)15/h1,3,5,10H,2,4H2,(H,11,12)(H,13,14,15) FOBI:030424 FOBI:030424 dihydrocaffeic acid 3-sulfate 14340 BOLQJTPHPSDZHR-UHFFFAOYSA-N InChI=1S/C10H12O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13) FOBI:030425 FOBI:030425 dihydroferulic acid 2033192 2752054 ZVIJTQFTLXXGJA-UHFFFAOYSA-N InChI=1S/C10H12O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13) FOBI:030426 FOBI:030426 dihydroisoferulic acid 190069 KYERCTIKYSSKPA-JHZZJYKESA-N InChI=1S/C16H20O10/c1-24-9-6-7(3-5-10(17)18)2-4-8(9)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2,4,6,11-14,16,19-21H,3,5H2,1H3,(H,17,18)(H,22,23)/t11-,12-,13+,14-,16+/m0/s1 FOBI:030427 FOBI:030427 dihydroferulic acid 4-glucuronide 49844034 OSJGZCUHTGTJHT-JHZZJYKESA-N InChI=1S/C16H20O10/c1-24-8-4-2-7(3-5-10(17)18)6-9(8)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2,4,6,11-14,16,19-21H,3,5H2,1H3,(H,17,18)(H,22,23)/t11-,12-,13+,14-,16+/m0/s1 FOBI:030428 FOBI:030428 dihydroisoferulic acid 3-glucuronide 187489 UMCDODPBPQMWQP-UHFFFAOYSA-N InChI=1S/C10H12O7S/c1-16-9-6-7(3-5-10(11)12)2-4-8(9)17-18(13,14)15/h2,4,6H,3,5H2,1H3,(H,11,12)(H,13,14,15) FOBI:030429 FOBI:030429 dihydroferulic acid 4-sulfate 49844179 QZIYZVFIROFZCV-UHFFFAOYSA-N InChI=1S/C10H12O7S/c1-16-8-4-2-7(3-5-10(11)12)6-9(8)17-18(13,14)15/h2,4,6H,3,5H2,1H3,(H,11,12)(H,13,14,15) FOBI:030430 FOBI:030430 dihydroisoferulic acid 3-sulfate 93013 HMDB02643 102959 KHTAGVZHYUZYMF-UHFFFAOYSA-N InChI=1S/C9H10O4/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8,10-11H,5H2,(H,12,13) FOBI:030431 FOBI:030431 3-(3-hydroxyphenyl)-3-hydroxypropionic acid QCVMOWDDTCUWLI-UHFFFAOYSA-N InChI=1S/C12H14O9/c13-4-2-1-3-5(6(4)14)20-12-9(17)7(15)8(16)10(21-12)11(18)19/h1-3,7-10,12-17H,(H,18,19) FOBI:030433 FOBI:030433 pyrogallol 1-glucuronide 122553541 SOHXEAWMMVSJFL-COGRHJPHSA-N InChI=1S/C12H14O9/c13-4-2-1-3-5(14)9(4)20-12-8(17)6(15)7(16)10(21-12)11(18)19/h1-3,6-8,10,12-17H,(H,18,19)/t6-,7-,8+,10-,12+/m0/s1 FOBI:030434 FOBI:030434 pyrogallol 2-glucuronide 54110629 NGVLEQPKHLWZLN-UHFFFAOYSA-N InChI=1S/C6H6O6S/c7-4-2-1-3-5(6(4)8)12-13(9,10)11/h1-3,7-8H,(H,9,10,11) FOBI:030435 FOBI:030435 pyrogallol 1-sulfate XADBYTWTQXSBAF-UHFFFAOYSA-N InChI=1S/C6H6O6S/c7-4-2-1-3-5(8)6(4)12-13(9,10)11/h1-3,7-8H,(H,9,10,11) FOBI:030436 FOBI:030436 pyrogallol 2-sulfate 13622 LPYUENQFPVNPHY-UHFFFAOYSA-N InChI=1S/C7H8O3/c1-10-6-4-2-3-5(8)7(6)9/h2-4,8-9H,1H3 FOBI:030437 FOBI:030437 1-methylpyrogallol 121805 QFYYAIBEHOEZKC-UHFFFAOYSA-N InChI=1S/C7H8O3/c1-10-7-5(8)3-2-4-6(7)9/h2-4,8-9H,1H3 FOBI:030438 FOBI:030438 2-methylpyrogallol 75124209 ICPYZFZFSLTYID-GOVZDWNOSA-N InChI=1S/C12H14O8/c13-5-3-1-2-4-6(5)19-12-9(16)7(14)8(15)10(20-12)11(17)18/h1-4,7-10,12-16H,(H,17,18)/t7-,8-,9+,10-,12+/m0/s1 FOBI:030445 FOBI:030445 catechol glucuronide PLHZIQGSGAGOQO-PXSDQIBWSA-N InChI=1S/C13H16O8/c1-5-2-3-7(6(14)4-5)20-13-10(17)8(15)9(16)11(21-13)12(18)19/h2-4,8-11,13-17H,1H3,(H,18,19)/t8-,9?,10?,11-,13+/m1/s1 FOBI:030448 FOBI:030448 4-methylcatechol 1-glucuronide 189501 UQDOAPRFPPMAOO-XPORZQOISA-N InChI=1S/C13H16O8/c1-5-2-3-6(14)7(4-5)20-13-10(17)8(15)9(16)11(21-13)12(18)19/h2-4,8-11,13-17H,1H3,(H,18,19)/t8-,9-,10+,11-,13+/m0/s1 FOBI:030449 FOBI:030449 4-methylcatechol 2-glucuronide 54104170 NCOMUGOPQPRVSE-UHFFFAOYSA-N InChI=1S/C7H8O5S/c1-5-2-3-7(6(8)4-5)12-13(9,10)11/h2-4,8H,1H3,(H,9,10,11) FOBI:030450 FOBI:030450 4-methylcatechol 1-sulfate CMEBXVIUEVCAFK-UHFFFAOYSA-N InChI=1S/C7H8O5S/c1-5-2-3-6(8)7(4-5)12-13(9,10)11/h2-4,8H,1H3,(H,9,10,11) FOBI:030451 FOBI:030451 4-methylcatechol 2-sulfate 61408 68099 BTQAJGSMXCDDAJ-UHFFFAOYSA-N InChI=1S/C7H6O4/c8-3-5-6(10)1-4(9)2-7(5)11/h1-3,9-11H FOBI:030456 FOBI:030456 2,4,6-trihydroxybenzaldehyde FHLOUKKMIKQAHL-BYNIDDHOSA-N InChI=1S/C14H16O9/c1-21-8-4-6(5-15)2-3-7(8)22-14-11(18)9(16)10(17)12(23-14)13(19)20/h2-5,9-12,14,16-18H,1H3,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1 FOBI:030458 FOBI:030458 vanillin glucuronide 20822599 OUIKMDRGUNIXSP-UHFFFAOYSA-N InChI=1S/C8H8O6S/c1-13-8-4-6(5-9)2-3-7(8)14-15(10,11)12/h2-5H,1H3,(H,10,11,12) FOBI:030459 FOBI:030459 vanillin sulfate InChI=1S/C21H22O12/c22-10-2-1-7(3-12(10)24)18-13(25)6-9-11(23)4-8(5-14(9)32-18)31-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,13,15-19,21-28H,6H2,(H,29,30) FOBI:030462 FOBI:030462 (epi)catechin 7-glucuronide InChI=1S/C21H22O12/c22-8-4-13-9(6-12(25)18(31-13)7-1-2-10(23)11(24)3-7)14(5-8)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,12,15-19,21-28H,6H2,(H,29,30) FOBI:030463 FOBI:030463 (epi)catechin 5-glucuronide InChI=1S/C21H22O12/c22-8-4-11(24)9-6-14(32-21-17(28)15(26)16(27)19(33-21)20(29)30)18(31-13(9)5-8)7-1-2-10(23)12(25)3-7/h1-5,14-19,21-28H,6H2,(H,29,30) FOBI:030464 FOBI:030464 (epi)catechin 3-glucuronide InChI=1S/C21H22O12/c22-8-4-11(24)9-6-12(25)18(31-13(9)5-8)7-1-2-10(23)14(3-7)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,12,15-19,21-28H,6H2,(H,29,30) FOBI:030465 FOBI:030465 (epi)catechin 3'-glucuronide InChI=1S/C21H22O12/c22-8-4-10(23)9-6-12(25)18(31-14(9)5-8)7-1-2-13(11(24)3-7)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,12,15-19,21-28H,6H2,(H,29,30) FOBI:030466 FOBI:030466 (epi)catechin 4'-glucuronide InChI=1S/C15H14O10S/c16-10-2-1-7(3-12(10)18)15-13(19)6-9-11(17)4-8(5-14(9)23-15)24-25-26(20,21)22/h1-5,13,15-19H,6H2,(H,20,21,22)/p-1 FOBI:030467 FOBI:030467 (epi)catechin 7-sulfate InChI=1S/C15H14O10S/c16-8-4-13-9(14(5-8)24-25-26(20,21)22)6-12(19)15(23-13)7-1-2-10(17)11(18)3-7/h1-5,12,15-19H,6H2,(H,20,21,22)/p-1 FOBI:030468 FOBI:030468 (epi)catechin 5-sulfate InChI=1S/C15H14O10S/c16-8-4-11(18)9-6-14(24-25-26(20,21)22)15(23-13(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,14-19H,6H2,(H,20,21,22)/p-1 FOBI:030469 FOBI:030469 (epi)catechin 3-sulfate InChI=1S/C15H14O10S/c16-8-4-11(18)9-6-12(19)15(23-13(9)5-8)7-1-2-10(17)14(3-7)24-25-26(20,21)22/h1-5,12,15-19H,6H2,(H,20,21,22)/p-1 FOBI:030470 FOBI:030470 (epi)catechin 3'-sulfate InChI=1S/C15H14O10S/c16-8-4-10(17)9-6-12(19)15(23-14(9)5-8)7-1-2-13(11(18)3-7)24-25-26(20,21)22/h1-5,12,15-19H,6H2,(H,20,21,22)/p-1 FOBI:030471 FOBI:030471 (epi)catechin 4'-sulfate 14332898 ZHDMPVIDHWJGTN-CZUORRHYSA-N InChI=1S/C16H16O6/c1-21-14-3-2-8(4-12(14)19)16-13(20)7-10-11(18)5-9(17)6-15(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16-/m1/s1 FOBI:030472 FOBI:030472 4'-methylepicatechin BBDWMQGDVLQOSW-UHFFFAOYSA-N InChI=1S/C16H16O6/c1-16(21)7-10-12(19)5-9(17)6-14(10)22-15(16)8-2-3-11(18)13(20)4-8/h2-6,15,17-21H,7H2,1H3 FOBI:030473 FOBI:030473 3'-methylepicatechin