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