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
65231
C12136
72277
XMOCLSLCDHWDHP-IUODEOHRSA-N
InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1
FOBI:030486
FOBI:030486
epigallocatechin
101449862
ZTOAOZDTXSRHIB-BBGDWMAASA-N
InChI=1S/C21H22O13/c22-7-3-9(23)8-5-13(33-21-17(29)15(27)16(28)19(34-21)20(30)31)18(32-12(8)4-7)6-1-10(24)14(26)11(25)2-6/h1-4,13,15-19,21-29H,5H2,(H,30,31)/t13-,15+,16+,17-,18-,19+,21-/m1/s1
FOBI:030487
FOBI:030487
epigallocatechin 3-glucuronide
PFNBTZIECYHRTC-UHFFFAOYSA-N
InChI=1S/C15H14O10S/c16-8-1-6-4-12(25-26(21,22)23)15(24-14(6)11(19)5-8)7-2-9(17)13(20)10(18)3-7/h1-3,5,12,15-20H,4H2,(H,21,22,23)
FOBI:030488
FOBI:030488
epigallocatechin 3-sulfate
17216345
HMDB05788
114777
22833651
MKTFRRIBCBTOKJ-CRFHJIRQSA-N
InChI=1S/C29H24O12/c30-12-4-17(32)14-8-20(35)28(40-22(14)6-12)11-1-10-2-16(25(37)27(39)24(10)26(38)19(34)3-11)29-21(36)9-15-18(33)5-13(31)7-23(15)41-29/h1-7,20-21,28-33,35-37,39H,8-9H2,(H,34,38)/t20-,21-,28-,29-/m1/s1
FOBI:030491
15602765
FOBI:030491
theaflavin
52920332
JDBYFCLHVYVXCX-UHFFFAOYSA-N
InChI=1S/C11H14O5/c12-8(2-4-11(15)16)5-7-1-3-9(13)10(14)6-7/h1,3,6,8,12-14H,2,4-5H2,(H,15,16)
FOBI:030492
FOBI:030492
4-hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid
BKJQCPDRWDNBIN-UHFFFAOYSA-N
InChI=1S/C17H22O11/c18-8(2-4-11(20)21)5-7-1-3-9(19)10(6-7)27-17-14(24)12(22)13(23)15(28-17)16(25)26/h1,3,6,8,12-15,17-19,22-24H,2,4-5H2,(H,20,21)(H,25,26)
FOBI:030493
FOBI:030493
4-hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid 3'-glucuronide
LLKUARGHNZMSRT-UHFFFAOYSA-N
InChI=1S/C17H22O11/c18-8(2-4-11(20)21)5-7-1-3-10(9(19)6-7)27-17-14(24)12(22)13(23)15(28-17)16(25)26/h1,3,6,8,12-15,17-19,22-24H,2,4-5H2,(H,20,21)(H,25,26)
FOBI:030494
FOBI:030494
4-hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid 4'-glucuronide
HROSNTXKMPHTSL-UHFFFAOYSA-N
InChI=1S/C11H14O8S/c12-8(2-4-11(14)15)5-7-1-3-9(13)10(6-7)19-20(16,17)18/h1,3,6,8,12-13H,2,4-5H2,(H,14,15)(H,16,17,18)
FOBI:030495
FOBI:030495
4-hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid 3'-sulfate
GSTPJGFSDIEVSY-UHFFFAOYSA-N
InChI=1S/C11H14O8S/c12-8(2-4-11(14)15)5-7-1-3-10(9(13)6-7)19-20(16,17)18/h1,3,6,8,12-13H,2,4-5H2,(H,14,15)(H,16,17,18)
FOBI:030496
FOBI:030496
4-hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid 4'-sulfate
DPSUQBKEHXAIDY-YHNANPAJSA-N
InChI=1S/C17H20O9/c18-11-5-4-10(24-11)7-8-2-1-3-9(6-8)25-17-14(21)12(19)13(20)15(26-17)16(22)23/h1-3,6,10,12-15,17,19-21H,4-5,7H2,(H,22,23)/t10?,12-,13-,14+,15-,17+/m0/s1
FOBI:030497
FOBI:030497
5-(3'-hydroxyphenyl)-γ-valerolactone 3'-glucuronide
124202065
DPRDYFJWDRNYAZ-UHFFFAOYSA-N
InChI=1S/C11H12O6S/c12-11-5-4-9(16-11)6-8-2-1-3-10(7-8)17-18(13,14)15/h1-3,7,9H,4-6H2,(H,13,14,15)
FOBI:030498
FOBI:030498
5-(3'-hydroxyphenyl)-γ-valerolactone 3'-sulfate
HWTHTKOQADEPQM-UHFFFAOYSA-N
InChI=1S/C11H12O6S/c12-11-6-5-10(16-11)7-8-1-3-9(4-2-8)17-18(13,14)15/h1-4,10H,5-7H2,(H,13,14,15)
FOBI:030499
FOBI:030499
5-(4'-hydroxyphenyl)-γ-valerolactone 4'-sulfate
134347
152432
ZNXXWTPQHVLMQT-UHFFFAOYSA-N
InChI=1S/C11H12O4/c12-9-3-1-7(6-10(9)13)5-8-2-4-11(14)15-8/h1,3,6,8,12-13H,2,4-5H2
FOBI:030500
FOBI:030500
5-(3',4'-dihydroxyphenyl)-γ-valerolactone
RALBOGKBFZBDKY-UHFFFAOYSA-N
InChI=1S/C18H22O10/c19-9-3-1-7(5-8-2-4-11(20)27-8)6-10(9)28-17-12(18(25)26)13(21)14(22)15(23)16(17)24/h1,3,6,8,12-17,19,21-24H,2,4-5H2,(H,25,26)
FOBI:030501
FOBI:030501
5-(3',4'-dihydroxyphenyl)-γ-valerolactone 3'-glucuronide
124202077
OTBJYBQGMPICIK-GHPVWUPISA-N
InChI=1S/C17H20O10/c18-9-6-7(5-8-2-4-11(19)25-8)1-3-10(9)26-17-14(22)12(20)13(21)15(27-17)16(23)24/h1,3,6,8,12-15,17-18,20-22H,2,4-5H2,(H,23,24)/t8?,12-,13-,14+,15-,17+/m1/s1
FOBI:030502
FOBI:030502
5-(3',4'-dihydroxyphenyl)-γ-valerolactone 4'-glucuronide
YAXFVDUJDAQPTJ-UHFFFAOYSA-N
InChI=1S/C11H12O7S/c12-9-3-1-7(5-8-2-4-11(13)17-8)6-10(9)18-19(14,15)16/h1,3,6,8,12H,2,4-5H2,(H,14,15,16)
FOBI:030503
FOBI:030503
5-(3',4'-dihydroxyphenyl)-γ-valerolactone 3'-sulfate
124202085
RUSMDDXSDLDLKU-PHPHFFAHSA-N
InChI=1S/C17H20O10/c18-8-3-7(4-9-1-2-11(19)25-9)5-10(6-8)26-17-14(22)12(20)13(21)15(27-17)16(23)24/h3,5-6,9,12-15,17-18,20-22H,1-2,4H2,(H,23,24)/t9?,12-,13-,14+,15-,17+/m0/s1
FOBI:030504
FOBI:030504
5-(3',5'-dihydroxyphenyl)-γ-valerolactone glucuronide
CVGUPVHDNVLHLW-UHFFFAOYSA-N
InChI=1S/C11H12O7S/c12-8-3-7(4-9-1-2-11(13)17-9)5-10(6-8)18-19(14,15)16/h3,5-6,9,12H,1-2,4H2,(H,14,15,16)
FOBI:030505
FOBI:030505
5-(3',5'-dihydroxyphenyl)-γ-valerolactone sulfate
44389277
CZVAQLJEUUFQCH-UHFFFAOYSA-N
InChI=1S/C11H12O5/c12-8-4-6(5-9(13)11(8)15)3-7-1-2-10(14)16-7/h4-5,7,12-13,15H,1-3H2
FOBI:030506
FOBI:030506
5-(3',4',5'-trihydroxyphenyl)-γ-valerolactone
VQHXMQYHVVQQFP-CXWHQSFFSA-N
InChI=1S/C17H20O11/c18-8-4-6(3-7-1-2-10(19)26-7)5-9(11(8)20)27-17-14(23)12(21)13(22)15(28-17)16(24)25/h4-5,7,12-15,17-18,20-23H,1-3H2,(H,24,25)/t7?,12-,13-,14+,15-,17?/m0/s1
FOBI:030507
FOBI:030507
5-(3',4',5'-trihydroxyphenyl)-γ-valerolactone 3'-glucuronide
ATYNVCXMADLPJQ-YSVLGHOVSA-N
InChI=1S/C17H20O11/c18-8-4-6(3-7-1-2-10(20)26-7)5-9(19)14(8)27-17-13(23)11(21)12(22)15(28-17)16(24)25/h4-5,7,11-13,15,17-19,21-23H,1-3H2,(H,24,25)/t7?,11-,12-,13+,15-,17+/m0/s1
FOBI:030508
FOBI:030508
5-(3',4',5'-trihydroxyphenyl)-γ-valerolactone 4'-glucuronide
OMISYDASOKPVDK-UHFFFAOYSA-N
InChI=1S/C11H12O8S/c12-8-4-6(3-7-1-2-10(13)18-7)5-9(11(8)14)19-20(15,16)17/h4-5,7,12,14H,1-3H2,(H,15,16,17)
FOBI:030509
FOBI:030509
5-(3',4',5'-trihydroxyphenyl)-γ-valerolactone 3'-sulfate
NPIMUIQBYBJSBB-UHFFFAOYSA-N
InChI=1S/C11H12O8S/c12-8-4-6(3-7-1-2-10(14)18-7)5-9(13)11(8)19-20(15,16)17/h4-5,7,12-13H,1-3H2,(H,15,16,17)
FOBI:030510
FOBI:030510
5-(3',4',5'-trihydroxyphenyl)-γ-valerolactone 4'-sulfate
2293832
3028410
GCIFEQYZDROELP-UHFFFAOYSA-N
InChI=1S/C12H14O4/c1-15-11-7-8(2-4-10(11)13)6-9-3-5-12(14)16-9/h2,4,7,9,13H,3,5-6H2,1H3
FOBI:030511
FOBI:030511
5-(3'-methoxy-4'-hydroxyphenyl)-γ-valerolactone
NGMVEYPQYAIGEI-UHFFFAOYSA-N
InChI=1S/C18H22O10/c1-25-11-7-8(6-9-3-5-12(19)26-9)2-4-10(11)27-18-15(22)13(20)14(21)16(28-18)17(23)24/h2,4,7,9,13-16,18,20-22H,3,5-6H2,1H3,(H,23,24)
FOBI:030512
FOBI:030512
5-(3'-methoxy-4'-hydroxyphenyl)-γ-valerolactone glucuronide
FYRRHCSCZYSADR-UHFFFAOYSA-N
InChI=1S/C12H14O7S/c1-17-11-7-8(6-9-3-5-12(13)18-9)2-4-10(11)19-20(14,15)16/h2,4,7,9H,3,5-6H2,1H3,(H,14,15,16)
FOBI:030513
FOBI:030513
5-(3'-methoxy-4'-hydroxyphenyl)-γ-valerolactone sulfate
51136360
BDCRTIDKZGEVEN-DNPGXZAYSA-N
InChI=1S/C21H20O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,13,16-19,21-23,25-27H,7H2,(H,28,29)/t13?,16-,17-,18+,19-,21+/m0/s1
FOBI:030515
FOBI:030515
naringenin 7-glucuronide
65234
HMDB05782
C01709
72281
AIONOLUJZLIMTK-AWEZNQCLSA-N
InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
FOBI:030518
11312761
16013828
9550103
9550103; 11312761
FOBI:030518
hesperetin
46896123
PJAUEKWZQWLQSU-WDXLFLMVSA-N
InChI=1S/C22H22O12/c1-31-12-3-2-8(13-7-11(25)16-10(24)5-9(23)6-15(16)32-13)4-14(12)33-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-6,13,17-20,22-24,26-28H,7H2,1H3,(H,29,30)/t13?,17-,18-,19+,20-,22+/m0/s1
FOBI:030519
FOBI:030519
hesperetin 3'-glucuronide
71777476
NEAWXAXVQDDFJL-PLEVBHNASA-N
InChI=1S/C22H22O12/c1-31-13-3-2-8(4-10(13)23)14-7-12(25)16-11(24)5-9(6-15(16)33-14)32-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-6,14,17-20,22-24,26-28H,7H2,1H3,(H,29,30)/t14?,17-,18-,19+,20-,22+/m0/s1
FOBI:030520
FOBI:030520
hesperetin 7-glucuronide
SKHOIXCPISQFMS-AWEZNQCLSA-N
InChI=1S/C16H14O9S/c1-23-13-3-2-8(4-10(13)17)14-7-12(19)16-11(18)5-9(6-15(16)24-14)25-26(20,21)22/h2-6,14,17-18H,7H2,1H3,(H,20,21,22)/t14-/m0/s1
FOBI:030521
FOBI:030521
hesperetin 7-sulfate
VLWJVRACXDFSKC-UHFFFAOYSA-N
InChI=1S/C17H14O10/c18-10-2-1-6-9(25-10)5-8-7(3-4-24-8)14(6)26-17-13(21)11(19)12(20)15(27-17)16(22)23/h1-5,11-13,15,17,19-21H,(H,22,23)
FOBI:030524
FOBI:030524
bergaptol glucuronide
MUJRAVJMPBKDAH-UHFFFAOYSA-
InChI=1S/C11H6O7S/c12-10-2-1-6-9(17-10)5-8-7(3-4-16-8)11(6)18-19(13,14)15/h1-5H,(H,13,14,15)
FOBI:030525
FOBI:030525
bergaptol sulfate
125641
PRYLPCLGPXGILY-DKBOKBLXSA-N
InChI=1S/C15H14O9/c16-9-4-2-6-1-3-7(5-8(6)23-9)22-15-12(19)10(17)11(18)13(24-15)14(20)21/h1-5,10-13,15,17-19H,(H,20,21)/t10-,11-,12+,13-,15+/m0/s1
FOBI:030526
FOBI:030526
umbelliferone glucuronide
LJOOSFYJELZGMR-UHFFFAOYSA-M
InChI=1S/C9H6O6S/c10-9-4-2-6-1-3-7(5-8(6)14-9)15-16(11,12)13/h1-5H,(H,11,12,13)/p-1
FOBI:030527
FOBI:030527
umbelliferone sulfate
23930394
ATUYSKUVHUPXBV-ZFORQUDYSA-N
InChI=1S/C21H18O10/c22-10-3-6-12-14(7-10)29-8-13(15(12)23)9-1-4-11(5-2-9)30-21-18(26)16(24)17(25)19(31-21)20(27)28/h1-8,16-19,21-22,24-26H,(H,27,28)/t16-,17-,18+,19-,21+/m0/s1
FOBI:030531
FOBI:030531
daidzein 4'-glucuronide
9491321
11316354
MMIBOZXVZLENRZ-ZFORQUDYSA-N
InChI=1S/C21H18O10/c22-10-3-1-9(2-4-10)13-8-29-14-7-11(5-6-12(14)15(13)23)30-21-18(26)16(24)17(25)19(31-21)20(27)28/h1-8,16-19,21-22,24-26H,(H,27,28)/t16-,17-,18+,19-,21+/m0/s1
FOBI:030532
FOBI:030532
daidzein 7-glucuronide
NSJKNMPSMHSBQD-MWBUVXCNSA-N
InChI=1S/C27H26O16/c28-15-12-6-5-11(41-27-21(34)17(30)19(32)23(43-27)25(37)38)7-14(12)39-8-13(15)9-1-3-10(4-2-9)40-26-20(33)16(29)18(31)22(42-26)24(35)36/h1-8,16-23,26-27,29-34H,(H,35,36)(H,37,38)/t16-,17-,18-,19-,20+,21+,22-,23-,26+,27+/m0/s1
FOBI:030533
FOBI:030533
daidzein diglucuronide
GFHHFNZYJNKWPT-ZFORQUDYSA-N
InChI=1S/C21H18O13S/c22-15-12-6-5-11(32-21-18(25)16(23)17(24)19(33-21)20(26)27)7-14(12)31-8-13(15)9-1-3-10(4-2-9)34-35(28,29)30/h1-8,16-19,21,23-25H,(H,26,27)(H,28,29,30)/t16-,17-,18+,19-,21+/m0/s1
FOBI:030534
FOBI:030534
daidzein 7-glucuronide-4'-sulfate
HQYWZCFQCBVQJZ-HGMWCATMSA-N
InChI=1S/C21H18O13S/c22-15-12-6-5-11(34-35(28,29)30)7-14(12)31-8-13(15)9-1-3-10(4-2-9)32-21-18(25)16(23)17(24)19(33-21)20(26)27/h1-8,16-19,21,23-25H,(H,26,27)(H,28,29,30)/t16-,17?,18?,19-,21+/m1/s1
FOBI:030535
FOBI:030535
daidzein 4'-glucuronide-7-sulfate
13076689
12114463
CQRHJEVIKOKQMO-UHFFFAOYSA-N
InChI=1S/C15H10O7S/c16-10-3-6-12-14(7-10)21-8-13(15(12)17)9-1-4-11(5-2-9)22-23(18,19)20/h1-8,16H,(H,18,19,20)
FOBI:030536
FOBI:030536
daidzein 4'-sulfate
45782816
NHEBJNCJBWUPCK-ZFORQUDYSA-N
InChI=1S/C21H18O11/c22-9-5-12(23)14-13(6-9)30-7-11(15(14)24)8-1-3-10(4-2-8)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
FOBI:030538
FOBI:030538
genistein 4'-glucuronide
13083403
15940724
JIVINIISUDEORF-ZFORQUDYSA-N
InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)11-7-30-13-6-10(5-12(23)14(13)15(11)24)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
FOBI:030539
FOBI:030539
genistein 7-glucuronide
DFJSPRNCKDBZIJ-MWBUVXCNSA-N
InChI=1S/C27H26O17/c28-12-5-10(42-27-21(35)17(31)19(33)23(44-27)25(38)39)6-13-14(12)15(29)11(7-40-13)8-1-3-9(4-2-8)41-26-20(34)16(30)18(32)22(43-26)24(36)37/h1-7,16-23,26-28,30-35H,(H,36,37)(H,38,39)/t16-,17-,18-,19-,20+,21+,22-,23-,26+,27+/m0/s1
FOBI:030540
FOBI:030540
genistein diglucuronide
SQCSMLZKGFBVFL-ZFORQUDYSA-N
InChI=1S/C21H18O14S/c22-12-5-10(35-36(29,30)31)6-13-14(12)15(23)11(7-32-13)8-1-3-9(4-2-8)33-21-18(26)16(24)17(25)19(34-21)20(27)28/h1-7,16-19,21-22,24-26H,(H,27,28)(H,29,30,31)/t16-,17-,18+,19-,21+/m0/s1
FOBI:030541
FOBI:030541
genistein 4'-glucuronide-7-sulfate
JZFIWABEFJYNRS-DSGPYVBMSA-L
InChI=1S/C21H18O14S.2Na/c22-12-5-10(33-21-18(26)16(24)17(25)19(34-21)20(27)28)6-13-14(12)15(23)11(7-32-13)8-1-3-9(4-2-8)35-36(29,30)31;;/h1-7,16-19,21-22,24-26H,(H,27,28)(H,29,30,31);;/q;2*+1/p-2/t16-,17-,18+,19-,21+;;/m0../s1
FOBI:030542
FOBI:030542
genistein 7-glucuronide-4'-sulfate
8466977
10291508
DKEIWIJUHWVGRC-UHFFFAOYSA-N
InChI=1S/C15H10O8S/c16-9-3-1-8(2-4-9)11-7-22-13-6-10(23-24(19,20)21)5-12(17)14(13)15(11)18/h1-7,16-17H,(H,19,20,21)
FOBI:030543
FOBI:030543
genistein 7-sulfate
29979359
XDPLKWRSVXUQBN-LVEHSUOCSA-N
InChI=1S/C21H22O9/c22-13-4-1-10(2-5-13)12-7-11-3-6-14(8-15(11)28-9-12)29-21-18(25)16(23)17(24)19(30-21)20(26)27/h1-6,8,12,16-19,21-25H,7,9H2,(H,26,27)/t12-,16+,17+,18-,19+,21-/m1/s1
FOBI:030545
FOBI:030545
equol 7-glucuronide
UXOJWGSGKUYMIA-GFCCVEGCSA-M
InChI=1S/C15H14O6S/c16-13-4-1-11-7-12(9-20-15(11)8-13)10-2-5-14(6-3-10)21-22(17,18)19/h1-6,8,12,16H,7,9H2,(H,17,18,19)/p-1/t12-/m1/s1
FOBI:030546
FOBI:030546
equol 4'-sulfate
KXYGEGYBMOCKNJ-SXFAUFNYSA-N
InChI=1S/C22H20O11/c1-30-10-4-2-9(3-5-10)12-8-31-14-7-11(6-13(23)15(14)16(12)24)32-22-19(27)17(25)18(26)20(33-22)21(28)29/h2-8,17-20,22-23,25-27H,1H3,(H,28,29)/t17-,18-,19+,20-,22+/m0/s1
FOBI:030548
FOBI:030548
biochanin a 7-glucuronide
XSOANDKYUDOEER-UHFFFAOYSA-N
InChI=1S/C16H12O8S/c1-22-10-4-2-9(3-5-10)12-8-23-14-7-11(24-25(19,20)21)6-13(17)15(14)16(12)18/h2-8,17H,1H3,(H,19,20,21)
FOBI:030549
FOBI:030549
biochanin a 7-sulfate
KDULJPKZESDTFK-SXFAUFNYSA-N
InChI=1S/C22H20O10/c1-29-11-4-2-10(3-5-11)15-9-14(23)13-7-6-12(8-16(13)31-15)30-22-19(26)17(24)18(25)20(32-22)21(27)28/h2-9,17-20,22,24-26H,1H3,(H,27,28)/t17-,18-,19+,20-,22+/m0/s1
FOBI:030551
FOBI:030551
formononetin 7-glucuronide
DSZBEWXQBVATQX-UHFFFAOYSA-N
InChI=1S/C16H12O7S/c1-21-11-4-2-10(3-5-11)14-9-22-15-8-12(23-24(18,19)20)6-7-13(15)16(14)17/h2-9H,1H3,(H,18,19,20)
FOBI:030552
FOBI:030552
formononetin 7-sulfate
4477775
5319484
JBFOLLJCGUCDQP-ZFORQUDYSA-N
InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
FOBI:030554
FOBI:030554
apigenin 7-glucuronide
4444211
C03515
5280601
VSUOKLTVXQRUSG-ZFORQUDYSA-N
InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(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:030557
FOBI:030557
luteolin 7-glucuronide
10176995
12004528
DUBCCGAQYVUYEU-UHFFFAOYSA-N
InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)
FOBI:030559
FOBI:030559
quercetin 3-glucuronide
11655911
LBJLXDMWOKJIPQ-JENRNSKYSA-N
InChI=1S/C21H18O13/c22-7-4-9(24)12-11(5-7)32-18(15(27)13(12)25)6-1-2-8(23)10(3-6)33-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14,16-17,19,21-24,26-29H,(H,30,31)/t14-,16-,17+,19-,21+/m0/s1
FOBI:030560
FOBI:030560
quercetin 3'-glucuronide
21676162
OSCLBBUATYLBQA-UHFFFAOYSA-N
InChI=1S/C15H10O10S/c16-7-4-9(18)12-11(5-7)24-15(14(20)13(12)19)6-1-2-8(17)10(3-6)25-26(21,22)23/h1-5,16-18,20H,(H,21,22,23)
FOBI:030561
FOBI:030561
quercetin 3'-sulfate
4590613
5491630
VVZWHOMBDMMRSC-NTKSAMNMSA-N
InChI=1S/C22H20O13/c1-32-11-4-7(2-3-9(11)24)18-19(14(26)13-10(25)5-8(23)6-12(13)33-18)34-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-6,15-17,20,22-25,27-29H,1H3,(H,30,31)/t15-,16-,17+,20-,22+/m0/s1
FOBI:030563
FOBI:030563
isorhamnetin 3-glucuronide
44123491
CZFNXFXZXWDYMZ-UHFFFAOYSA-L
InChI=1S/C16H12O10S/c1-24-11-4-7(2-3-9(11)18)15-16(26-27(21,22)23)14(20)13-10(19)5-8(17)6-12(13)25-15/h2-6,17-19H,1H3,(H,21,22,23)/p-2
FOBI:030564
FOBI:030564
isorhamnetin 3-sulfate
44259052
VOYLAWHADGDBIE-UHFFFAOYSA-N
InChI=1S/C15H10O9S/c16-8-3-1-7(2-4-8)14-15(24-25(20,21)22)13(19)12-10(18)5-9(17)6-11(12)23-14/h1-6,16-18H,(H,20,21,22)
FOBI:030567
FOBI:030567
kaempferol 3-sulfate
8065632
9889961
YFJJAJIWPWXWJJ-ZFORQUDYSA-N
InChI=1S/C21H22O11/c22-10-4-1-9(2-5-10)3-6-12(24)15-13(25)7-11(23)8-14(15)31-21-18(28)16(26)17(27)19(32-21)20(29)30/h1-2,4-5,7-8,16-19,21-23,25-28H,3,6H2,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1
FOBI:030569
FOBI:030569
phloretin glucuronide
4589709
5488186
RIUPLDUFZCXCHM-UHFFFAOYSA-N
InChI=1S/C13H8O4/c14-7-1-3-9-10-4-2-8(15)6-12(10)17-13(16)11(9)5-7/h1-6,14-15H
FOBI:030570
FOBI:030570
urolithin a
4528673
5380406
WXUQMTRHPNOXBV-UHFFFAOYSA-N
InChI=1S/C13H8O3/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)16-12(10)7-8/h1-7,14H
FOBI:030573
FOBI:030573
urolithin b
101495881
MHBWCULXQBVPQT-KSPMYQCISA-N
InChI=1S/C19H16O9/c20-13-14(21)16(17(23)24)28-19(15(13)22)26-8-5-6-10-9-3-1-2-4-11(9)18(25)27-12(10)7-8/h1-7,13-16,19-22H,(H,23,24)/t13-,14-,15+,16-,19+/m0/s1
FOBI:030574
FOBI:030574
urolithin b glucuronide
LRRVKQQFGIEMSA-UHFFFAOYSA-N
InChI=1S/C13H8O6S/c14-13-11-4-2-1-3-9(11)10-6-5-8(7-12(10)18-13)19-20(15,16)17/h1-7H,(H,15,16,17)
FOBI:030575
FOBI:030575
urolithin b sulfate
60198001
HHXMEXZVPJFAIJ-UHFFFAOYSA-N
InChI=1S/C13H8O5/c14-6-1-2-7-8-4-10(15)11(16)5-9(8)13(17)18-12(7)3-6/h1-5,14-16H
FOBI:030576
FOBI:030576
urolithin c
DDAQYQCCOWZGDO-KSPMYQCISA-N
InChI=1S/C19H16O11/c20-10-4-8-7-2-1-6(3-12(7)29-18(27)9(8)5-11(10)21)28-19-15(24)13(22)14(23)16(30-19)17(25)26/h1-5,13-16,19-24H,(H,25,26)/t13-,14-,15+,16-,19+/m0/s1
FOBI:030577
FOBI:030577
urolithin c 3-glucuronide
AIWPERSXONUOOZ-UHFFFAOYSA-N
InChI=1S/C13H8O8S/c14-10-4-8-7-2-1-6(21-22(17,18)19)3-12(7)20-13(16)9(8)5-11(10)15/h1-5,14-15H,(H,17,18,19)
FOBI:030578
FOBI:030578
urolithin c 3-sulfate
HEIHXCBRTPYOMU-BYNIDDHOSA-N
InChI=1S/C14H18O8/c15-6-5-7-1-3-8(4-2-7)21-14-11(18)9(16)10(17)12(22-14)13(19)20/h1-4,9-12,14-18H,5-6H2,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1
FOBI:030580
FOBI:030580
tyrosol glucuronide
VCRXMIQBQGCAAL-UHFFFAOYSA-N
InChI=1S/C8H10O5S/c9-6-5-7-1-3-8(4-2-7)13-14(10,11)12/h1-4,9H,5-6H2,(H,10,11,12)
FOBI:030581
FOBI:030581
tyrosol sulfate
CPHMFZSEPDNJAZ-BYNIDDHOSA-N
InChI=1S/C14H18O9/c15-4-3-6-1-2-7(16)8(5-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-2,5,9-12,14-19H,3-4H2,(H,20,21)/t9-,10-,11+,12-,14+/m0/s1
FOBI:030583
FOBI:030583
hydroxytyrosol 3'-glucuronide
JMDNSUMWVYKARS-BYNIDDHOSA-N
InChI=1S/C14H18O9/c15-4-3-6-1-2-8(7(16)5-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-2,5,9-12,14-19H,3-4H2,(H,20,21)/t9-,10-,11+,12-,14+/m0/s1
FOBI:030584
FOBI:030584
hydroxytyrosol 4'-glucuronide
71749404
BZTHVCCNFBAISK-UHFFFAOYSA-N
InChI=1S/C8H10O6S/c9-4-3-6-1-2-7(10)8(5-6)14-15(11,12)13/h1-2,5,9-10H,3-4H2,(H,11,12,13)
FOBI:030585
FOBI:030585
hydroxytyrosol 3'-sulfate
71749405
VNPXBLBTQUFCHO-UHFFFAOYSA-N
InChI=1S/C8H10O6S/c9-4-3-6-1-2-8(7(10)5-6)14-15(11,12)13/h1-2,5,9-10H,3-4H2,(H,11,12,13)
FOBI:030586
FOBI:030586
hydroxytyrosol 4'-sulfate
16928
XHUBSJRBOQIZNI-UHFFFAOYSA-N
InChI=1S/C9H12O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,10-11H,4-5H2,1H3
FOBI:030587
FOBI:030587
homovanillyl alcohol
FPHRLHBSOJUFOE-DKBOKBLXSA-N
InChI=1S/C15H20O9/c1-22-9-6-7(4-5-16)2-3-8(9)23-15-12(19)10(17)11(18)13(24-15)14(20)21/h2-3,6,10-13,15-19H,4-5H2,1H3,(H,20,21)/t10-,11-,12+,13-,15+/m0/s1
FOBI:030588
FOBI:030588
homovanillyl alcohol glucuronide
LWTDOJAWTHMBFG-UHFFFAOYSA-N
InChI=1S/C9H12O6S/c1-14-9-6-7(4-5-10)2-3-8(9)15-16(11,12)13/h2-3,6,10H,4-5H2,1H3,(H,11,12,13)
FOBI:030589
FOBI:030589
homovanillyl alcohol sulfate
4437760
5273285
QWSAYEBSTMCFKY-OTPOQTMVSA-N
InChI=1S/C20H20O9/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/h1-9,15-18,20-25H,(H,26,27)/b2-1+/t15-,16-,17+,18-,20+/m0/s1
FOBI:030592
FOBI:030592
trans-resveratrol 3-glucuronide
4437759
5273284
CDEBVTGYVFHDMA-OTPOQTMVSA-N
InChI=1S/C20H20O9/c21-12-7-11(8-13(22)9-12)2-1-10-3-5-14(6-4-10)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1+/t15-,16-,17+,18-,20+/m0/s1
FOBI:030593
FOBI:030593
trans-resveratrol 4'-glucuronide
29986850
QWSAYEBSTMCFKY-BMPGWQKJSA-N
InChI=1S/C20H20O9/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/h1-9,15-18,20-25H,(H,26,27)/b2-1-/t15-,16-,17+,18-,20+/m0/s1
FOBI:030594
FOBI:030594
cis-resveratrol 3-glucuronide
71752003
CDEBVTGYVFHDMA-BMPGWQKJSA-N
InChI=1S/C20H20O9/c21-12-7-11(8-13(22)9-12)2-1-10-3-5-14(6-4-10)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1-/t15-,16-,17+,18-,20+/m0/s1
FOBI:030595
FOBI:030595
cis-resveratrol 4'-glucuronide
29986833
KOTTWDFKZULRPN-OWOJBTEDSA-N
InChI=1S/C14H12O6S/c15-12-7-11(8-13(16)9-12)2-1-10-3-5-14(6-4-10)20-21(17,18)19/h1-9,15-16H,(H,17,18,19)/b2-1+
FOBI:030597
FOBI:030597
trans-resveratrol 4'-sulfate
129848988
DULQFFCIVGYOFH-UPHRSURJSA-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:030598
FOBI:030598
cis-resveratrol 3-sulfate
97107241
KOTTWDFKZULRPN-UPHRSURJSA-N
InChI=1S/C14H12O6S/c15-12-7-11(8-13(16)9-12)2-1-10-3-5-14(6-4-10)20-21(17,18)19/h1-9,15-16H,(H,17,18,19)/b2-1-
FOBI:030599
FOBI:030599
cis-resveratrol 4'-sulfate
MATKIWLWARSJPU-HBWRTXEVSA-N
InChI=1S/C20H22O9/c21-12-7-11(8-13(22)9-12)2-1-10-3-5-14(6-4-10)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:030602
FOBI:030602
dihydroresveratrol 4'-glucuronide
VPKVLRCNQRSXLW-UHFFFAOYSA-N
InChI=1S/C14H14O6S/c15-12-7-11(8-13(16)9-12)2-1-10-3-5-14(6-4-10)20-21(17,18)19/h3-9,15-16H,1-2H2,(H,17,18,19)
FOBI:030604
FOBI:030604
dihydroresveratrol 4'-sulfate
SSZYARBRHYOZQM-OWOJBTEDSA-N
InChI=1S/C26H30O14/c27-10-16-17(29)18(30)21(33)25(39-16)37-14-7-12(2-1-11-3-5-13(28)6-4-11)8-15(9-14)38-26-22(34)19(31)20(32)23(40-26)24(35)36/h1-9,16-23,25-34H,10H2,(H,35,36)/b2-1+
FOBI:030606
FOBI:030606
piceid 3-glucuronide
PHLZFRGLHZUWLW-OWOJBTEDSA-N
InChI=1S/C26H30O14/c27-10-16-17(29)18(30)21(33)25(39-16)38-15-8-12(7-13(28)9-15)2-1-11-3-5-14(6-4-11)37-26-22(34)19(31)20(32)23(40-26)24(35)36/h1-9,16-23,25-34H,10H2,(H,35,36)/b2-1+
FOBI:030607
FOBI:030607
piceid 4'-glucuronide
WYPZTOJGOQAJJD-CUYWLFDKSA-N
InChI=1S/C20H22O11S/c21-10-16-17(23)18(24)19(25)20(30-16)29-14-7-12(8-15(9-14)31-32(26,27)28)2-1-11-3-5-13(22)6-4-11/h1-9,16-25H,10H2,(H,26,27,28)/b2-1+/t16-,17-,18+,19-,20-/m1/s1
FOBI:030608
FOBI:030608
piceid 3-sulfate
OPXYKICHKIQGOV-CUYWLFDKSA-N
InChI=1S/C20H22O11S/c21-10-16-17(23)18(24)19(25)20(30-16)29-15-8-12(7-13(22)9-15)2-1-11-3-5-14(6-4-11)31-32(26,27)28/h1-9,16-25H,10H2,(H,26,27,28)/b2-1+/t16-,17-,18+,19-,20-/m1/s1
FOBI:030609
FOBI:030609
piceid 4'-sulfate
71315012
BNSAVBGHRVFVNN-XSCLDSQRSA-N
InChI=1S/C27H28O12/c1-36-20-11-14(5-9-18(20)30)3-7-16(28)13-17(29)8-4-15-6-10-19(21(12-15)37-2)38-27-24(33)22(31)23(32)25(39-27)26(34)35/h3-12,22-25,27,30-33H,13H2,1-2H3,(H,34,35)/b7-3+,8-4+/t22-,23-,24+,25-,27+/m0/s1
FOBI:030610
FOBI:030610
curcumin glucuronide
NEJVQQBBTRFOHB-FCXRPNKRSA-N
InChI=1S/C21H20O9S/c1-28-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(21(12-15)29-2)30-31(25,26)27/h3-12,24H,13H2,1-2H3,(H,25,26,27)/b7-3+,8-4+
FOBI:030611
FOBI:030611
curcumin sulfate
HMDB06101
123917
HVDGDHBAMCBBLR-UHFFFAOYSA-N
InChI=1S/C18H18O4/c19-15-5-1-3-12(8-15)7-14-11-22-18(21)17(14)10-13-4-2-6-16(20)9-13/h1-6,8-9,14,17,19-20H,7,10-11H2
FOBI:030612
FOBI:030612
enterolactone
YIGJPNKBAAZMPC-NBSJFAFNSA-N
InChI=1S/C24H26O10/c25-15-5-1-3-12(8-15)7-14-11-32-23(31)17(14)10-13-4-2-6-16(9-13)33-24-20(28)18(26)19(27)21(34-24)22(29)30/h1-6,8-9,14,17-21,24-28H,7,10-11H2,(H,29,30)/t14-,17+,18+,19+,20-,21+,24-/m1/s1
FOBI:030613
FOBI:030613
enterolactone 3'-glucuronide
CGSFDOCYHBJLFW-PBHICJAKSA-N
InChI=1S/C18H18O7S/c19-15-5-1-3-12(8-15)7-14-11-24-18(20)17(14)10-13-4-2-6-16(9-13)25-26(21,22)23/h1-6,8-9,14,17,19H,7,10-11H2,(H,21,22,23)/t14-,17+/m1/s1
FOBI:030614
FOBI:030614
enterolactone 3'-sulfate
InChI=1S/C24H30O10/c25-11-15(7-13-3-1-5-17(27)9-13)16(12-26)8-14-4-2-6-18(10-14)33-24-21(30)19(28)20(29)22(34-24)23(31)32/h1-6,9-10,15-16,19-22,24-30H,7-8,11-12H2,(H,31,32)/t15-,16-,19-,20-,21+,22-,24+/m0/s1
FOBI:030616
FOBI:030616
enterodiol glucuronide
InChI=1S/C18H22O7S/c19-11-15(7-13-3-1-5-17(21)9-13)16(12-20)8-14-4-2-6-18(10-14)25-26(22,23)24/h1-6,9-10,15-16,19-21H,7-8,11-12H2,(H,22,23,24)/t15-,16-/m0/s1
FOBI:030617
FOBI:030617
enterodiol sulfate
447736
513197
YKGCBLWILMDSAV-UHFFFAOYSA-N
InChI=1S/C21H22O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10,18,22-23H,9,11H2,1-3H3
FOBI:030618
10070768
FOBI:030618
isoxanthohumol
14604154
11972
ADVGKWPZRIDURE-UHFFFAOYSA-N
InChI=1S/C8H9NO2/c1-6(10)9-7-4-2-3-5-8(7)11/h2-5,11H,1H3,(H,9,10)
FOBI:030619
FOBI:030619
n-(2-hydroxyphenyl)acetamide
PRQFWBNVZNICDN-JUSQZNFGSA-N
InChI=1S/C13H15NO9/c15-7-8(16)10(11(18)19)23-12(9(7)17)22-6-4-2-1-3-5(6)14-13(20)21/h1-4,7-10,12,14-17H,(H,18,19)(H,20,21)/t7-,8?,9?,10-,12+/m0/s1
FOBI:030620
FOBI:030620
n-(2-hydroxyphenyl)acetamide glucuronide
181671
JCVGTUVGDOWZJE-UHFFFAOYSA-N
InChI=1S/C8H9NO5S/c1-6(10)9-7-4-2-3-5-8(7)14-15(11,12)13/h2-5H,1H3,(H,9,10)(H,11,12,13)
FOBI:030621
FOBI:030621
n-(2-hydroxyphenyl)acetamide sulfate
59751652
BUCREAQPYGLZLI-SXFAUFNYSA-N
InChI=1S/C22H18O7/c23-17-18(24)20(21(26)27)29-22(19(17)25)28-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17-20,22-25H,(H,26,27)/t17-,18-,19+,20-,22+/m0/s1
FOBI:030622
FOBI:030622
1-hydroxypyrene glucuronide
InChI=1S/C25H36O10/c1-10-11-3-4-15-24(2)9-12(34-23-18(28)16(26)17(27)19(35-23)22(32)33)7-13(21(30)31)14(24)5-6-25(15,8-11)20(10)29/h11-20,23,26-29H,1,3-9H2,2H3,(H,30,31)(H,32,33)/t11-,12-,13-,14-,15+,16+,17+,18-,19+,20+,23-,24-,25-/m1/s1
FOBI:030623
FOBI:030623
atractyligenin 2-glucuronide
55940
D08836
11074431 | 23683747
WBZFUFAFFUEMEI-UHFFFAOYSA-M
InChI=1S/C4H5NO4S.K/c1-3-2-4(6)5-10(7,8)9-3;/h2H,1H3,(H,5,6);/q;+1/p-1
FOBI:030624
FOBI:030624
acesulfame k
19355701
HMDB10325
18392195
IWJBVMJWSPZNJH-UQGZVRACSA-N
InChI=1S/C8H14O7/c1-2-14-8-5(11)3(9)4(10)6(15-8)7(12)13/h3-6,8-11H,2H2,1H3,(H,12,13)/t3-,4-,5+,6-,8+/m0/s1
FOBI:030628
FOBI:030628
ethyl glucuronide
14206177
57448826 | 6004
KIWBPDUYBMNFTB-UHFFFAOYSA-N
InChI=1S/C2H6O4S/c1-2-6-7(3,4)5/h2H2,1H3,(H,3,4,5)
FOBI:030629
FOBI:030629
ethyl sulfate
197081
YTMNONATNXDQJF-UBNZBFALSA-N
InChI=1S/C21H20O11.ClH/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8;/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26);1H/t16-,17-,18+,19-,21-;/m1./s1
FOBI:030633
FOBI:030633
cyanidin 3-glucoside
391786
C12141
443654
ZZWPMFROUHHAKY-OUUKCGNVSA-O
InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19+,20-,22-/m1/s1
FOBI:030637
FOBI:030637
peonidin 3-glucoside
176449
HBKZHMZCXXQMOX-YATQZQGFSA-N
InChI=1S/C22H22O12.ClH/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22;/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27);1H/t16-,18-,19+,20-,22-;/m1./s1
FOBI:030638
FOBI:030638
petunidin 3-glucoside
HMDB05792
5350
SUVMJBTUFCVSAD-UHFFFAOYSA-N
InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3
FOBI:030639
FOBI:030639
sulforaphane
8577881
10402443
PUPMSTCTVNEOCX-ISJKBYAMSA-N
InChI=1S/C9H18N2O3S3/c1-17(14)5-3-2-4-11-9(15)16-6-7(10)8(12)13/h7H,2-6,10H2,1H3,(H,11,15)(H,12,13)/t7-,17?/m0/s1
FOBI:030640
FOBI:030640
sulforaphane-cysteine
71772353
IIHBKTCHILXGOT-KMYGYIBBSA-N
InChI=1S/C11H20N2O4S3/c1-8(14)13-9(10(15)16)7-19-11(18)12-5-3-4-6-20(2)17/h9H,3-7H2,1-2H3,(H,12,18)(H,13,14)(H,15,16)/t9-,20?/m0/s1
FOBI:030641
FOBI:030641
sulforaphane-n-acetyl-cysteine
XXNFGCPBPYXDGU-UHFFFAOYSA-N
InChI=1S/C11H21N3O4S3/c1-21(18)5-3-2-4-13-11(19)20-7-8(12)10(17)14-6-9(15)16/h8H,2-7,12H2,1H3,(H,13,19)(H,14,17)(H,15,16)
FOBI:030642
FOBI:030642
sulforaphane-cysteine-glycine
45040448
ROARKYNVUQLTDP-QGQIPBJJSA-N
InChI=1S/C16H28N4O7S3/c1-30(27)7-3-2-6-18-16(28)29-9-11(14(24)19-8-13(22)23)20-12(21)5-4-10(17)15(25)26/h10-11H,2-9,17H2,1H3,(H,18,28)(H,19,24)(H,20,21)(H,22,23)(H,25,26)/t10-,11-,30?/m0/s1
FOBI:030643
FOBI:030643
sulforaphane-glutathione
HMDB06095
10455
LELAOEBVZLPXAZ-UHFFFAOYSA-N
InChI=1S/C5H9NOS2/c1-9(7)4-2-3-6-5-8/h2-4H2,1H3
FOBI:030644
FOBI:030644
iberin
TVMBFSAEYQAFEF-UHFFFAOYSA-N
InChI=1S/C8H16N2O3S3/c1-16(13)4-2-3-10-8(14)15-5-6(9)7(11)12/h6H,2-5,9H2,1H3,(H,10,14)(H,11,12)
FOBI:030645
FOBI:030645
iberin-cysteine
RBVJIAJZFANPKT-UHFFFAOYSA-N
InChI=1S/C10H18N2O4S3/c1-7(13)12-8(9(14)15)6-18-10(17)11-4-3-5-19(2)16/h8H,3-6H2,1-2H3,(H,11,17)(H,12,13)(H,14,15)
FOBI:030646
FOBI:030646
iberin-n-acetyl-cysteine
DPNSNZWERSTHLI-UHFFFAOYSA-N
InChI=1S/C10H19N3O4S3/c1-20(17)4-2-3-12-10(18)19-6-7(11)9(16)13-5-8(14)15/h7H,2-6,11H2,1H3,(H,12,18)(H,13,16)(H,14,15)
FOBI:030647
FOBI:030647
iberin-cysteine-glycine
VSDUBRGHFZYNJY-UHFFFAOYSA-N
InChI=1S/C15H26N4O7S3/c1-29(26)6-2-5-17-15(27)28-8-10(13(23)18-7-12(21)22)19-11(20)4-3-9(16)14(24)25/h9-10H,2-8,16H2,1H3,(H,17,27)(H,18,23)(H,19,20)(H,21,22)(H,24,25)
FOBI:030648
FOBI:030648
iberin-glutathione
5020627
6537488
HBULKUDERNWOBN-UHFFFAOYSA-N
InChI=1S/C8H9NO5/c10-4-5-1-2-6(14-5)8(13)9-3-7(11)12/h1-2,10H,3-4H2,(H,9,13)(H,11,12)
FOBI:030650
FOBI:030650
5-(hydroxymethyl-2-furoyl)glycine
HMDB01970
11804
ODCYDGXXCHTFIR-UHFFFAOYSA-N
InChI=1S/C6H6N4O3/c1-10-3-2(7-5(12)8-3)4(11)9-6(10)13/h1H3,(H2,7,8,12)(H,9,11,13)
FOBI:030660
FOBI:030660
3-methyluric acid
62375
HMDB11107
C16355
69160
YHNNPKUFPWLTOP-UHFFFAOYSA-N
InChI=1S/C6H6N4O3/c1-10-2-3(8-6(10)13)7-5(12)9-4(2)11/h1H3,(H3,7,8,9,11,12,13)
FOBI:030661
FOBI:030661
7-methyluric acid
8096278
9920643
XWCBQDPCEYHYRB-UHFFFAOYSA-N
InChI=1S/C7H10N4O3/c1-3(12)9-4-5(8)11(2)7(14)10-6(4)13/h8H2,1-2H3,(H,9,12)(H,10,13,14)
FOBI:030666
FOBI:030666
6-amino-5-(n-methylformylamino)-1-methyluracil
5428292
7074739
SZJNCZMRZAUNQT-IUCAKERBSA-N
InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)/t8-,9-/m0/s1
FOBI:030668
FOBI:030668
cyclo(l-leucyl-l-prolyl)
SQVPGYDPSLNFET-KSXIZUIISA-N
InChI=1S/C19H20N4O6/c1-23-11-7-10(9-5-3-2-4-6-9)8-20-16(11)21-19(23)22-17-14(26)12(24)13(25)15(29-17)18(27)28/h2-8,12-15,17,24-26H,1H3,(H,27,28)(H,20,21,22)/t12-,13-,14+,15-,17+/m0/s1
FOBI:030670
FOBI:030670
2-amino-1,6-dimethylimidazo[4,5-b]pyridine glucuronide
76843
85208
ZVFVTBSWJWONEI-GOVZDWNOSA-N
InChI=1S/C12H15NO7/c13-5-3-1-2-4-6(5)19-12-9(16)7(14)8(15)10(20-12)11(17)18/h1-4,7-10,12,14-16H,13H2,(H,17,18)/t7-,8-,9+,10-,12+/m0/s1
FOBI:030672
FOBI:030672
2-aminophenol glucuronide
181670
VSTZVCJQGSLNLL-UHFFFAOYSA-N
InChI=1S/C6H7NO4S/c7-5-3-1-2-4-6(5)11-12(8,9)10/h1-4H,7H2,(H,8,9,10)
FOBI:030673
FOBI:030673
2-aminophenol sulfate
2340857
3083688
LOODYTDRRBLQNH-UHFFFAOYSA-N
InChI=1S/C10H11NO5/c1-16-8-4-6(2-3-7(8)12)10(15)11-5-9(13)14/h2-4,12H,5H2,1H3,(H,11,15)(H,13,14)
FOBI:030675
FOBI:030675
vanilloylglycine
134378
152467
LKRAEHUDIUJBSF-ZETCQYMHSA-N
InChI=1S/C8H13NO3S/c1-3-4-13-5-7(8(11)12)9-6(2)10/h3,7H,1,4-5H2,2H3,(H,9,10)(H,11,12)/t7-/m0/s1
FOBI:030677
FOBI:030677
n-acetyl-s-allylcysteine
13893975
RYGLCORNOFFGTB-YFKPBYRVSA-N
InChI=1S/C6H11NO3S/c1-4(8)7-5(3-11-2)6(9)10/h5H,3H2,1-2H3,(H,7,8)(H,9,10)/t5-/m0/s1
FOBI:030679
FOBI:030679
n-acetyl-s-methylcysteine
8640899
10465488
LKRAEHUDIUJBSF-SSDOTTSWSA-N
InChI=1S/C8H13NO3S/c1-3-4-13-5-7(8(11)12)9-6(2)10/h3,7H,1,4-5H2,2H3,(H,9,10)(H,11,12)/t7-/m1/s1
FOBI:030680
FOBI:030680
s-allylmercapturic acid
66282
NVLPQIPTCCLBEU-UHFFFAOYSA-N
InChI=1S/C4H8S/c1-3-4-5-2/h3H,1,4H2,2H3
FOBI:030681
FOBI:030681
allyl methyl sulfide
9063108
10887844
JWWFEYMQBBFIRT-UHFFFAOYSA-N
InChI=1S/C4H8OS/c1-3-4-6(2)5/h3H,1,4H2,2H3
FOBI:030682
FOBI:030682
allyl methyl sulfoxide
WOPDMJYIAAXDMN-UHFFFAOYSA-N
InChI=1S/C4H8O2S/c1-3-4-7(2,5)6/h3H,1,4H2,2H3
FOBI:030683
FOBI:030683
allyl methyl sulfone
135751
HMDB11686
154035
JPAUCQAJHLSMQW-XPORZQOISA-N
InChI=1S/C13H16O7/c1-6-2-4-7(5-3-6)19-13-10(16)8(14)9(15)11(20-13)12(17)18/h2-5,8-11,13-16H,1H3,(H,17,18)/t8-,9-,10+,11-,13+/m0/s1
FOBI:030700
FOBI:030700
p-cresol glucuronide
2015556
HMDB10319
2733785
KUYNOZVWCFXSNE-BYNIDDHOSA-N
InChI=1S/C14H15NO7/c16-9-10(17)12(13(19)20)22-14(11(9)18)21-8-5-15-7-4-2-1-3-6(7)8/h1-5,9-12,14-18H,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1
FOBI:030703
FOBI:030703
indoxyl glucuronide
230519
262500
ZGVSETXHNHBTRK-UHFFFAOYSA-N
InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3
FOBI:030715
FOBI:030715
α-solanine
181700
BBGNINPPDHJETF-UHFFFAOYSA-N
InChI=1S/C23H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h18-20,24-25H,2-17H2,1H3
FOBI:030719
FOBI:030719
5-n-heptadecylresorcinol
161858
PUNOCEUUYUXUGR-UHFFFAOYSA-N
InChI=1S/C25H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h20-22,26-27H,2-19H2,1H3
FOBI:030720
FOBI:030720
5-n-nonadecylresorcinol
136952
155461
BLHLKJLSYHEOGY-UHFFFAOYSA-N
InChI=1S/C27H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)24-27(29)23-25/h22-24,28-29H,2-21H2,1H3
FOBI:030721
FOBI:030721
5-n-heneicosylresorcinol
136953
155462
OHTBGMREZYLZQD-UHFFFAOYSA-N
InChI=1S/C29H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-24-28(30)26-29(31)25-27/h24-26,30-31H,2-23H2,1H3
FOBI:030722
FOBI:030722
5-n-tricosylresorcinol
136954
155463
GDJMJAKVVSGNLA-UHFFFAOYSA-N
InChI=1S/C31H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-26-30(32)28-31(33)27-29/h26-28,32-33H,2-25H2,1H3
FOBI:030723
FOBI:030723
5-n-pentacosylresorcinol
10610280 | 13756559
6043
ASSKVPFEZFQQNQ-UHFFFAOYSA-N
InChI=1S/C7H5NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
FOBI:030724
FOBI:030724
2-benzoxazolinone
10772
MKMCJLMBVKHUMS-UHFFFAOYSA-N
InChI=1S/C8H7NO3/c1-11-5-2-3-6-7(4-5)12-8(10)9-6/h2-4H,1H3,(H,9,10)
FOBI:030725
FOBI:030725
6-methoxy-benzoxazolin-2-one
14605137
PYQSUTLVBSTCSK-BJPDSMLBSA-N
InChI=1S/C14H17NO8/c16-5-8-9(17)10(18)11(19)13(22-8)23-14-12(20)15-6-3-1-2-4-7(6)21-14/h1-4,8-11,13-14,16-19H,5H2,(H,15,20)/t8-,9-,10+,11-,13+,14?/m1/s1
FOBI:030727
FOBI:030727
2-β-d-glucopyranosyloxy-1,4-benzoxazin-3-one
PXAGSWBDUVOULJ-CPFHXUIISA-N
InChI=1S/C14H15NO9/c16-7-8(17)10(12(20)21)23-13(9(7)18)24-14-11(19)15-5-3-1-2-4-6(5)22-14/h1-4,7-10,13-14,16-18H,(H,15,19)(H,20,21)/t7-,8?,9?,10-,13-,14?/m1/s1
FOBI:030728
FOBI:030728
2-hydroxy-1,4-benzoxazin-3-one glucuronide
XQOGGBJDHDDLTI-UHFFFAOYSA-N
InChI=1S/C8H7NO6S/c10-7-8(15-16(11,12)13)14-6-4-2-1-3-5(6)9-7/h1-4,8H,(H,9,10)(H,11,12,13)
FOBI:030729
FOBI:030729
2-hydroxy-1,4-benzoxazin-3-one sulfate
134162
152213
NDEPTLCFICMYLH-UHFFFAOYSA-N
InChI=1S/C9H9NO4/c1-13-5-2-3-6-7(4-5)14-9(12)8(11)10-6/h2-4,9,12H,1H3,(H,10,11)
FOBI:030730
FOBI:030730
2-hydroxy-7-methoxy-1,4-benzoxazin-3-one
161229
PMBZSEOAOIYRMW-XGHDNVSXSA-N
InChI=1S/C15H19NO9/c1-22-6-2-3-7-8(4-6)23-15(13(21)16-7)25-14-12(20)11(19)10(18)9(5-17)24-14/h2-4,9-12,14-15,17-20H,5H2,1H3,(H,16,21)/t9-,10-,11+,12-,14+,15?/m1/s1
FOBI:030731
FOBI:030731
2-β-d-glucopyranosyloxy-7-methoxy-1,4-benzoxazin-3-one
CKVNYXWAZIGXDC-CPFHXUIISA-N
InChI=1S/C14H15NO10/c16-7-8(17)10(12(20)21)24-13(9(7)18)25-14-11(19)15(22)5-3-1-2-4-6(5)23-14/h1-4,7-10,13-14,16-18,22H,(H,20,21)/t7-,8?,9?,10-,13-,14?/m1/s1
FOBI:030734
FOBI:030734
2,4-dihydroxy-1,4-benzoxazin-3-one glucuronide
GNPNIYVSUDXFAF-UHFFFAOYSA-N
InChI=1S/C8H7NO7S/c10-7-8(16-17(12,13)14)15-6-4-2-1-3-5(6)9(7)11/h1-4,8,11H,(H,12,13,14)
FOBI:030735
FOBI:030735
2,4-dihydroxy-1,4-benzoxazin-3-one sulfate
HMDB00826
C16537
13849
WQEPLUUGTLDZJY-UHFFFAOYSA-N
InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)
FOBI:030738
FOBI:030738
pentadecanoic acid
559144
HMDB00044
TYQCGQRIZGCHNB-MVHIGOERSA-N
InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8,10-11H,1H2/t2-,5+/m1/s1
FOBI:030745
FOBI:030745
ascorbic acid
4938343
HMDB03233
6433159
KBPHJBAIARWVSC-RTIVXWJOSA-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/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35?,36-,37+/m1/s1
FOBI:030749
FOBI:030749
lutein
4444876
5281544
RFWGABANNQMHMZ-ZCHJGGQASA-N
InChI=1S/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,14,18,20-22,24-28,30-32H,6-7,9-10H2,1-2H3/b13-3+/t14-,18+,20+,21-,22+,24-,25-/m0/s1
FOBI:030751
10552399; 10820069
10820069
FOBI:030751
oleuropein
HMDB02364
C17148
10494
MIJYXULNPSFWEK-GTOFXWBISA-N
InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
FOBI:030752
FOBI:030752
oleanolic acid
144315
164619
DSCFFEYYQKSRSV-FEPQRWDDSA-N
InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2?,3-,4-,5-,6+,7?/m0/s1
FOBI:030755
FOBI:030755
d-pinitol
17341254 | 18503690
HMDB00122
C00031 | D00009
5793
WQZGKKKJIJFFOK-GASJEMHNSA-N
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1
FOBI:030758
FOBI:030758
glucose
FOBI:040000
FOBI:040000
Phenylpropanoids and polyketides
FOBI:040001
FOBI:040001
Benzenoids
FOBI:040002
FOBI:040002
Organic oxygen compounds
FOBI:040003
FOBI:040003
Lipids and lipid-like molecules
FOBI:040004
FOBI:040004
Organic acids and derivatives
FOBI:040005
FOBI:040005
Organoheterocyclic compounds
FOBI:040006
FOBI:040006
Lignans, neolignans and related compounds
FOBI:040007
FOBI:040007
Organosulfur compounds
FOBI:040008
FOBI:040008
Organic nitrogen compounds
FOBI:040009
FOBI:040009
Organometallic compounds
FOBI:040010
FOBI:040010
Alkaloids and derivatives
FOBI:040011
FOBI:040011
Flavonoids
FOBI:040012
FOBI:040012
Isoflavonoids
FOBI:040013
FOBI:040013
Benzene and substituted derivatives
FOBI:040014
FOBI:040014
Organooxygen compounds
FOBI:040015
FOBI:040015
Prenol lipids
FOBI:040016
FOBI:040016
Organic sulfuric acids and derivatives
FOBI:040017
FOBI:040017
Coumarins and derivatives
FOBI:040018
FOBI:040018
Benzoxazoles
FOBI:040019
FOBI:040019
Phenols
FOBI:040020
FOBI:040020
Hydroxy acids and derivatives
FOBI:040021
FOBI:040021
Saccharolipids
FOBI:040022
FOBI:040022
Diarylheptanoids
FOBI:040023
FOBI:040023
Phenylpropanoic acids
FOBI:040024
FOBI:040024
Carboxylic acids and derivatives
FOBI:040025
FOBI:040025
Cinnamic acids and derivatives
FOBI:040026
FOBI:040026
Pyrenes
FOBI:040027
FOBI:040027
Imidazopyrimidines
FOBI:040028
FOBI:040028
Stilbenes
FOBI:040029
FOBI:040029
Benzoxazines
FOBI:040030
FOBI:040030
Peptidomimetics
FOBI:040031
FOBI:040031
Benzothiazoles
FOBI:040032
FOBI:040032
Tannins
FOBI:040033
FOBI:040033
Fatty Acyls
FOBI:040034
FOBI:040034
Indoles and derivatives
FOBI:040035
FOBI:040035
Dibenzylbutane lignans
FOBI:040036
FOBI:040036
Sulfamic acid derivatives
FOBI:040037
FOBI:040037
Furanoid lignans
FOBI:040038
FOBI:040038
Steroids and steroid derivatives
FOBI:040039
FOBI:040039
Sulfoxides
FOBI:040040
FOBI:040040
Allyl sulfur compounds
FOBI:040041
FOBI:040041
Organonitrogen compounds
FOBI:040042
FOBI:040042
Pyridines and derivatives
FOBI:040043
FOBI:040043
Phenol ethers
FOBI:040044
FOBI:040044
Diazines
FOBI:040045
FOBI:040045
Organometalloid compounds
FOBI:040046
FOBI:040046
Dihydrofurans
FOBI:040047
FOBI:040047
Linear 1,3-diarylpropanoids
FOBI:040048
FOBI:040048
Sulfonyls
FOBI:040049
FOBI:040049
Organic sulfonic acids and derivatives
FOBI:040050
FOBI:040050
Flavonoid glycosides
FOBI:040051
FOBI:040051
Isoflavans
FOBI:040052
FOBI:040052
Anilides
FOBI:040053
FOBI:040053
Carbohydrates and carbohydrate conjugates
FOBI:040054
FOBI:040054
O-methylated flavonoids
FOBI:040055
FOBI:040055
Benzoic acids and derivatives
FOBI:040056
FOBI:040056
Tetraterpenoids
FOBI:040057
FOBI:040057
Arylsulfates
FOBI:040058
FOBI:040058
Coumarin glycosides
FOBI:040059
FOBI:040059
Benzoxazolones
FOBI:040060
FOBI:040060
Isoflavonoid O-glycosides
FOBI:040061
FOBI:040061
Flavans
FOBI:040062
FOBI:040062
Benzenediols
FOBI:040063
FOBI:040063
Beta hydroxy acids and derivatives
FOBI:040064
FOBI:040064
Linear diarylheptanoids
FOBI:040065
FOBI:040065
Amino acids, peptides, and analogues
FOBI:040066
FOBI:040066
Benzenetriols and derivatives
FOBI:040067
FOBI:040067
Hydroxycinnamic acids and derivatives
FOBI:040068
FOBI:040068
Purines and purine derivatives
FOBI:040069
FOBI:040069
Phenylacetic acids
FOBI:040070
FOBI:040070
Aniline and substituted anilines
FOBI:040071
FOBI:040071
Stilbene glycosides
FOBI:040072
FOBI:040072
Benzoxazinones
FOBI:040073
FOBI:040073
Hybrid peptides
FOBI:040074
FOBI:040074
Isoflav-2-enes
FOBI:040075
FOBI:040075
Alcohols and polyols
FOBI:040076
FOBI:040076
Hydrolyzable tannins
FOBI:040077
FOBI:040077
Lineolic acids and derivatives
FOBI:040078
FOBI:040078
Indolyl carboxylic acids and derivatives
FOBI:040079
FOBI:040079
Dibenzylbutanediol lignans
FOBI:040080
FOBI:040080
1-hydroxy-4-unsubstituted benzenoids
FOBI:040081
FOBI:040081
Methoxyphenols
FOBI:040082
FOBI:040082
Furanocoumarins
FOBI:040083
FOBI:040083
Cyclamates
FOBI:040084
FOBI:040084
O-methylated isoflavonoids
FOBI:040085
FOBI:040085
Fatty acids and conjugates
FOBI:040086
FOBI:040086
Tetrahydrofuran lignans
FOBI:040087
FOBI:040087
Carbonyl compounds
FOBI:040088
FOBI:040088
Flavones
FOBI:040089
FOBI:040089
Cresols
FOBI:040090
FOBI:040090
Medium-chain hydroxy acids and derivatives
FOBI:040091
FOBI:040091
Tyrosols and derivatives
FOBI:040092
FOBI:040092
Steroidal alkaloids
FOBI:040093
FOBI:040093
Sulfuric acid esters
FOBI:040094
FOBI:040094
Tricarboxylic acids and derivatives
FOBI:040095
FOBI:040095
Triterpenoids
FOBI:040096
FOBI:040096
1-hydroxy-2-unsubstituted benzenoids
FOBI:040097
FOBI:040097
Cinnamic acids
FOBI:040098
FOBI:040098
Quaternary ammonium salts
FOBI:040099
FOBI:040099
Methylpyridines
FOBI:040100
FOBI:040100
Fatty acid esters
FOBI:040101
FOBI:040101
Pyrimidines and pyrimidine derivatives
FOBI:040102
FOBI:040102
Terpene glycosides
FOBI:040103
FOBI:040103
Diterpenoids
FOBI:040104
FOBI:040104
Organoarsenic compounds
FOBI:040105
FOBI:040105
Steroidal glycosides
FOBI:040106
FOBI:040106
Furanones
FOBI:040107
FOBI:040107
Aminoxides
FOBI:040108
FOBI:040108
Chalcones and dihydrochalcones
FOBI:040109
FOBI:040109
Sulfones
FOBI:040110
FOBI:040110
Biflavonoids and polyflavonoids
FOBI:040111
FOBI:040111
Organosulfonic acids and derivatives
FOBI:040112
FOBI:040112
N-arylamides
FOBI:040113
FOBI:040113
Flavonoid O-glycosides
FOBI:040114
FOBI:040114
Isoflavanols
FOBI:040115
FOBI:040115
Acetanilides
FOBI:040116
FOBI:040116
Glycosyl compounds
FOBI:040117
FOBI:040117
4'-O-methylated flavonoids
FOBI:040118
FOBI:040118
Hydroxybenzoic acid derivatives
FOBI:040119
FOBI:040119
Carotenoids
FOBI:040120
FOBI:040120
Phenylsulfates
FOBI:040121
FOBI:040121
Flavan-3-ols
FOBI:040122
FOBI:040122
Resorcinols
FOBI:040123
FOBI:040123
Curcuminoids
FOBI:040124
FOBI:040124
Amino acids and derivatives
FOBI:040125
FOBI:040125
Phloroglucinols and derivatives
FOBI:040126
FOBI:040126
Coumaric acids and derivatives
FOBI:040127
FOBI:040127
Xanthines
FOBI:040128
FOBI:040128
2(hydroxyphenyl)acetic acids
FOBI:040129
FOBI:040129
Catechols
FOBI:040130
FOBI:040130
Isoflavones
FOBI:040131
FOBI:040131
Cyclic alcohols and derivatives
FOBI:040132
FOBI:040132
3'-O-methylated flavonoids
FOBI:040133
FOBI:040133
Pyrogallols and derivatives
FOBI:040134
FOBI:040134
Secondary alcohols
FOBI:040135
FOBI:040135
Indole-3-acetic acid derivatives
FOBI:040136
FOBI:040136
Sugar acids and derivatives
FOBI:040137
FOBI:040137
Flavanones
FOBI:040138
FOBI:040138
Linear furanocoumarins
FOBI:040139
FOBI:040139
4'-O-methylated isoflavonoids
FOBI:040140
FOBI:040140
Sulfated fatty acids
FOBI:040141
FOBI:040141
9,9'-epoxylignans
FOBI:040142
FOBI:040142
Aldehydes
FOBI:040143
FOBI:040143
Para cresols
FOBI:040144
FOBI:040144
Flavonols
FOBI:040145
FOBI:040145
Long-chain fatty acids
FOBI:040146
FOBI:040146
Tyrosols
FOBI:040147
FOBI:040147
Solanidines and derivatives
FOBI:040148
FOBI:040148
Sulfuric acid monoesters
FOBI:040149
FOBI:040149
Hydroxycinnamic acids
FOBI:040150
FOBI:040150
Methoxybenzoic acids and derivatives
FOBI:040151
FOBI:040151
Benzamides
FOBI:040152
FOBI:040152
Very long-chain fatty acids
FOBI:040153
FOBI:040153
Carnitines
FOBI:040154
FOBI:040154
N-methylpyridinium compounds
FOBI:040155
FOBI:040155
Acyl carnitines
FOBI:040156
FOBI:040156
Hydroxypyrimidines
FOBI:040157
FOBI:040157
Acyclic diterpenoids
FOBI:040158
FOBI:040158
Peptides
FOBI:040159
FOBI:040159
Monosaccharides
FOBI:040160
FOBI:040160
Tetraorganoarsonium salts
FOBI:040161
FOBI:040161
Steroidal saponins
FOBI:040162
FOBI:040162
Trialkyl amine oxides
FOBI:040163
FOBI:040163
2'-Hydroxy-dihydrochalcones
FOBI:040164
FOBI:040164
Heterocyclic fatty acids
FOBI:040165
FOBI:040165
Organosulfonic acids
FOBI:040166
FOBI:040166
N-acetylarylamines
FOBI:040167
FOBI:040167
Spirosolanes and derivatives
FOBI:040168
FOBI:040168
8-prenylated flavans
FOBI:040169
FOBI:040169
Anthocyanins
FOBI:040170
FOBI:040170
Phenolic glycosides
FOBI:040171
FOBI:040171
Salicylic acid and derivatives
FOBI:040172
FOBI:040172
Carotenes
FOBI:040173
FOBI:040173
C-glycosyl compounds
FOBI:040174
FOBI:040174
Catechins
FOBI:040175
FOBI:040175
Flavonoid O-glucuronides
FOBI:040176
FOBI:040176
Alpha amino acids and derivatives
FOBI:040177
FOBI:040177
Acylphloroglucinols and derivatives
FOBI:040178
FOBI:040178
Coumaric acids
FOBI:040179
FOBI:040179
Cyclitols and derivatives
FOBI:040180
FOBI:040180
O-glycosyl compounds
FOBI:040181
FOBI:040181
Xanthophylls
FOBI:040182
FOBI:040182
Gallic acid and derivatives
FOBI:040183
FOBI:040183
Cyclohexanols
FOBI:040184
FOBI:040184
Psoralens
FOBI:040185
FOBI:040185
4'-O-methylisoflavones
FOBI:040186
FOBI:040186
Dibenzylbutyrolactone lignans
FOBI:040187
FOBI:040187
Aryl-aldehydes
FOBI:040188
FOBI:040188
Glucuronic acid derivatives
FOBI:040189
FOBI:040189
P-methoxybenzoic acids and derivatives
FOBI:040190
FOBI:040190
Hippuric acids and derivatives
FOBI:040191
FOBI:040191
Oligopeptides
FOBI:040192
FOBI:040192
Hexoses
FOBI:040193
FOBI:040193
M-methoxybenzoic acids and derivatives
FOBI:040194
FOBI:040194
Beta amino acids and derivatives
FOBI:040195
FOBI:040195
Furanoid fatty acids
FOBI:040196
FOBI:040196
5-unsubstituted pyrrogallols
FOBI:040197
FOBI:040197
8-prenylated flavanones
FOBI:040198
FOBI:040198
Anthocyanidin-3-O-glycosides
FOBI:040199
FOBI:040199
Salicylic acids
FOBI:040200
FOBI:040200
Flavonoid-7-O-glucuronides
FOBI:040201
FOBI:040201
Histidine and derivatives
FOBI:040202
FOBI:040202
Alanine and derivatives
FOBI:040203
FOBI:040203
N-acyl-alpha amino acids and derivatives
FOBI:040204
FOBI:040204
Proline and derivatives
FOBI:040205
FOBI:040205
Phenylalanine and derivatives
FOBI:040206
FOBI:040206
Quinic acids and derivatives
FOBI:040207
FOBI:040207
Flavonoid-3-O-glucuronides
FOBI:040208
FOBI:040208
5-hydroxypsoralens
FOBI:040209
FOBI:040209
Benzaldehydes
FOBI:040210
FOBI:040210
Cysteine and derivatives
FOBI:040211
FOBI:040211
Inositol phosphates
FOBI:040212
FOBI:040212
Glucuronides
FOBI:040213
FOBI:040213
Gallic acids
FOBI:040214
FOBI:040214
Hippuric acids
FOBI:040215
FOBI:040215
Catechin gallates
FOBI:040216
FOBI:040216
Tyrosine and derivatives
FOBI:040217
FOBI:040217
Galloyl esters
FOBI:040218
FOBI:040218
Epigallocatechins
FOBI:040219
FOBI:040219
Alpha amino acids
FOBI:040221
FOBI:040221
Kaurane diterpenoids
FOBI:040222
FOBI:040222
Vegetarian dishes
FOBI:040223
FOBI:040223
Non vegetarian dishes
FOBI:040225
FOBI:040225
Cold sauces
FOBI:040229
FOBI:040229
Other prepared foods
YPASCVZALRQWQG-YROROSIDSA-N
InChI=1S/C24H26O10/c25-15-5-1-3-13(8-15)10-17-14(11-32-23(17)31)7-12-4-2-6-16(9-12)33-24-20(28)18(26)19(27)21(34-24)22(29)30/h1-6,8-9,14,17-21,24-28H,7,10-11H2,(H,29,30)/t14-,17?,18+,19?,20?,21+,24?/m1/s1
FOBI:040239
FOBI:040239
enterolactone 3''-glucuronide
SPRPHXPXKOEYDB-XPCCGILXSA-N
InChI=1S/C18H18O7S/c19-15-5-1-3-13(8-15)10-17-14(11-24-18(17)20)7-12-4-2-6-16(9-12)25-26(21,22)23/h1-6,8-9,14,17,19H,7,10-11H2,(H,21,22,23)/t14-,17?/m1/s1
FOBI:040240
FOBI:040240
enterolactone 3''-sulfate
MCMHLNUFWOHPQE-UHFFFAOYSA-N
InChI=1S/C9H10O8S/c1-2-16-9(12)5-3-6(10)8(7(11)4-5)17-18(13,14)15/h3-4,10-11H,2H2,1H3,(H,13,14,15)
FOBI:040241
FOBI:040241
ethylgallate 4-sulfate
ZHTVVEZJLVVZOT-YGMDGNCASA-N
InChI=1S/C15H18O11/c1-2-24-14(23)5-3-6(16)11(7(17)4-5)25-15-10(20)8(18)9(19)12(26-15)13(21)22/h3-4,8-10,12,15-20H,2H2,1H3,(H,21,22)/t8-,9-,10+,12-,15+/m0/s1
FOBI:040242
FOBI:040242
ethylgallate 4-glucuronide
FOBI:07501
FOBI:07501
Coca Cola Zero
FOBI:07502
FOBI:07502
Coca Cola Light
FOBI:07503
FOBI:07503
Pepsi Max
FOBI:07504
FOBI:07504
Coca Cola
FOBI:07505
FOBI:07505
Pepsi
FOBI:07506
FOBI:07506
Fanta
FOBI:07510
FOBI:07510
whole bread
FOBI:07511
FOBI:07511
whole toast
FOBI:07518
FOBI:07518
pint
FOBI:07522
FOBI:07522
crisp
FOBI:07524
FOBI:07524
wholemeal bread
FOBI:07527
FOBI:07527
diet coke
FOBI:07528
FOBI:07528
weetabix
FOBI:07550
FOBI:07550
philadelphia
FOBI:07572
FOBI:07572
wholemeal
FOBI:07581
FOBI:07581
raki
FOBI:07584
FOBI:07584
zero coke
FOBI:07585
FOBI:07585
coke
OQBMUBCLLAWJHJ-PYSZTQAZSA-N
InChI=1S/C22H24O12/c1-31-15-4-8(19-12(25)7-10-11(24)5-9(23)6-14(10)32-19)2-3-13(15)33-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,12,16-20,22-28H,7H2,1H3,(H,29,30)/t12-,16+,17+,18-,19+,20+,22-/m1/s1
FOBI:08566
FOBI:08566
3'-methylcatechin 4'-glucuronide
WMVRRRYTJXAVND-CNDVCMBASA-N
InChI=1S/C22H24O12/c1-31-15-4-8(2-3-11(15)24)19-12(25)7-10-13(32-19)5-9(23)6-14(10)33-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,12,16-20,22-28H,7H2,1H3,(H,29,30)/t12-,16-,17-,18+,19+,20-,22+/m0/s1
FOBI:08567
FOBI:08567
3'-methylcatechin 5-glucuronide
OQBMUBCLLAWJHJ-FDRKUGEKSA-N
InChI=1S/C22H24O12/c1-31-15-4-8(19-12(25)7-10-11(24)5-9(23)6-14(10)32-19)2-3-13(15)33-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,12,16-20,22-28H,7H2,1H3,(H,29,30)/t12-,16+,17+,18-,19-,20+,22-/m1/s1
FOBI:08568
FOBI:08568
3'-methylepicatechin 4'-glucuronide
WMVRRRYTJXAVND-FDRKUGEKSA-N
InChI=1S/C22H24O12/c1-31-15-4-8(2-3-11(15)24)19-12(25)7-10-13(32-19)5-9(23)6-14(10)33-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,12,16-20,22-28H,7H2,1H3,(H,29,30)/t12-,16+,17+,18-,19-,20+,22-/m1/s1
FOBI:08569
FOBI:08569
3'-methylepicatechin 5-glucuronide
101190386
MZJSKSYVZZIYPF-ZRRVXMDUSA-N
InChI=1S/C22H24O12/c1-31-15-4-8(2-3-11(15)23)19-13(25)7-10-12(24)5-9(6-14(10)33-19)32-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,13,16-20,22-28H,7H2,1H3,(H,29,30)/t13-,16+,17+,18-,19-,20+,22-/m1/s1
FOBI:08642
FOBI:08642
3'-methylepicatechin 7-glucuronide
101244286
PSOMCIRLFFROES-FDRKUGEKSA-N
InChI=1S/C22H24O12/c1-31-13-3-2-8(19-12(25)7-10-11(24)5-9(23)6-14(10)32-19)4-15(13)33-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,12,16-20,22-28H,7H2,1H3,(H,29,30)/t12-,16+,17+,18-,19-,20+,22-/m1/s1
FOBI:08643
FOBI:08643
4'-methylepicatechin 3'-glucuronide
FJHGPEXCGXLNNU-FDRKUGEKSA-N
InChI=1S/C22H24O12/c1-31-13-3-2-8(4-11(13)24)19-12(25)7-10-14(32-19)5-9(23)6-15(10)33-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,12,16-20,22-28H,7H2,1H3,(H,29,30)/t12-,16+,17+,18-,19-,20+,22-/m1/s1
FOBI:08644
FOBI:08644
4'-methylepicatechin 5-glucuronide
CJPIUMOCTBARLM-ZRRVXMDUSA-N
nChI=1S/C22H24O12/c1-31-14-3-2-8(4-12(14)24)19-13(25)7-10-11(23)5-9(6-15(10)33-19)32-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,13,16-20,22-28H,7H2,1H3,(H,29,30)/t13-,16+,17+,18-,19-,20+,22-/m1/s1
FOBI:08645
FOBI:08645
4'-methylepicatechin 7-glucuronide
FXAMKGHSKXKNHR-DAURTTLQSA-N
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)/t12-,15-,16-,17?,18+,19?,21+/m0/s1
FOBI:08646
FOBI:08646
catechin 4'-glucuronide
KGLMKAPOVXBIJB-AKIQRXPNSA-N
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)/t12-,15+,16+,17-,18+,19+,21-/m1/s1
FOBI:08647
FOBI:08647
catechin 5-glucuronide
76969982
BUONZQIZWIITTB-CVPXIJHMSA-N
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)/t12-,15+,16+,17-,18-,19+,21-/m1/s1
FOBI:08648
FOBI:08648
epicatechin 3'-glucuronide
FXAMKGHSKXKNHR-CVPXIJHMSA-N
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)/t12-,15+,16+,17-,18-,19+,21-/m1/s1
FOBI:08649
FOBI:08649
epicatechin 4'-glucuronide
KGLMKAPOVXBIJB-SNFOCDISSA-N
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)/t12?,15-,16-,17+,18?,19-,21+/m0/s1
FOBI:08650
FOBI:08650
epicatechin 5-glucuronide
76961592
FDWDKTKDGDLDTP-BBGDWMAASA-N
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)/t13-,15+,16+,17-,18-,19+,21-/m1/s1
FOBI:08651
FOBI:08651
epicatechin 7-glucuronide
VBSMBNMUYITMLB-SWLSCSKDSA-N
InChI=1S/C15H14O9S/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(20,21)22/h1-5,12,15-19H,6H2,(H,20,21,22)/t12-,15+/m0/s1
FOBI:08652
FOBI:08652
catechin 3'-sulfate
YKRWCINYMPRAIG-SWLSCSKDSA-N
InChI=1S/C15H14O9S/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(20,21)22/h1-5,12,15-19H,6H2,(H,20,21,22)/t12-,15+/m0/s1
FOBI:08653
FOBI:08653
catechin 4'-sulfate
MWSSRHFQMROXGK-SWLSCSKDSA-N
InChI=1S/C15H14O9S/c16-8-4-13-9(14(5-8)24-25(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)/t12-,15+/m0/s1
FOBI:08654
FOBI:08654
catechin 5-sulfate
FLSYXGAHKYHTCZ-HUUCEWRRSA-N
InChI=1S/C15H14O9S/c16-8-4-11(18)9-6-14(24-25(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)/t14-,15-/m1/s1
FOBI:08655
FOBI:08655
epicatechin 3-sulfate
71260094
VBSMBNMUYITMLB-IUODEOHRSA-N
InChI=1S/C15H14O9S/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(20,21)22/h1-5,12,15-19H,6H2,(H,20,21,22)/t12-,15-/m1/s1
FOBI:08656
FOBI:08656
epicatechin 3'-sulfate
71579043
YKRWCINYMPRAIG-IUODEOHRSA-N
InChI=1S/C15H14O9S/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(20,21)22/h1-5,12,15-19H,6H2,(H,20,21,22)/t12-,15-/m1/s1
FOBI:08657
FOBI:08657
epicatechin 4'-sulfate
71579119
MWSSRHFQMROXGK-IUODEOHRSA-N
InChI=1S/C15H14O9S/c16-8-4-13-9(14(5-8)24-25(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)/t12-,15-/m1/s1
FOBI:08658
FOBI:08658
epicatechin 5-sulfate
RTMISWLJQDWIPT-UKRRQHHQSA-N
InChI=1S/C15H14O9S/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(20,21)22/h1-5,13,15-19H,6H2,(H,20,21,22)/t13-,15-/m1/s1
FOBI:08659
FOBI:08659
epicatechin 7-sulfate
RVIUQHYENGKVCZ-UHFFFAOYSA-N
InChI=1S/C14H16O10/c15-6-2-1-5(4-8(16)17)3-7(6)23-14-11(20)9(18)10(19)12(24-14)13(21)22/h1-3,9-12,14-15,18-20H,4H2,(H,16,17)(H,21,22)
FOBI:08660
FOBI:08660
3,4-dihydroxyphenylacetic acid 3-glucuronide
SOKKQMPCIJPSGH-UHFFFAOYSA-N
InChI=1S/C14H16O10/c15-6-3-5(4-8(16)17)1-2-7(6)23-14-11(20)9(18)10(19)12(24-14)13(21)22/h1-3,9-12,14-15,18-20H,4H2,(H,16,17)(H,21,22)
FOBI:08661
FOBI:08661
3,4-dihydroxyphenylacetic acid 4-glucuronide
KAIXMDKRVHGWDK-UHFFFAOYSA-N
InChI=1S/C8H8O7S/c9-6-2-1-5(4-8(10)11)3-7(6)15-16(12,13)14/h1-3,9H,4H2,(H,10,11)(H,12,13,14)
FOBI:08662
FOBI:08662
3,4-dihydroxyphenylacetic acid 3-sulfate
193283
ZQTJTTSZJNFQGJ-UHFFFAOYSA-N
InChI=1S/C8H8O7S/c9-6-3-5(4-8(10)11)1-2-7(6)15-16(12,13)14/h1-3,9H,4H2,(H,10,11)(H,12,13,14)
FOBI:08663
FOBI:08663
3,4-dihydroxyphenylacetic acid 4-sulfate
WAXYAOJFDCCESK-UHFFFAOYSA-N
InChI=1S/C11H12O7S/c12-9-6-7(5-8-2-4-11(13)17-8)1-3-10(9)18-19(14,15)16/h1,3,6,8,12H,2,4-5H2,(H,14,15,16)
FOBI:08664
FOBI:08664
5-(3',4'-dihydroxyphenyl)-γ-valerolactone 4'-sulfate
52920453
WAKFBGOXOFLZLZ-UHFFFAOYSA-N
InChI=1S/C11H12O4/c12-8-3-7(4-9(13)6-8)5-10-1-2-11(14)15-10/h3-4,6,10,12-13H,1-2,5H2
FOBI:08665
FOBI:08665
5-(3',5'-dihydroxyphenyl)-γ-valerolactone
OXASBXALVLRTKO-UHFFFAOYSA-N
InChI=1S/C11H12O3/c12-9-3-1-8(2-4-9)7-10-5-6-11(13)14-10/h1-4,10,12H,5-7H2
FOBI:08666
FOBI:08666
5-(3'-hydroxyphenyl)-γ-valerolactone
ZZTMNRLDFVIBTG-UHFFFAOYSA-N
InChI=1S/C13H14O10/c14-5-3-1-2-4(11(18)19)9(5)22-13-8(17)6(15)7(16)10(23-13)12(20)21/h1-3,6-8,10,13-17H,(H,18,19)(H,20,21)
FOBI:08667
FOBI:08667
2,3-dihydroxybenzoic acid 2-glucuronide
WEIFSGICBUHQQV-UHFFFAOYSA-N
InChI=1S/C13H14O10/c14-6-4(11(18)19)2-1-3-5(6)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)
FOBI:08668
FOBI:08668
2,3-dihydroxybenzoic acid 3-glucuronide
JRPJGICIYUNHQW-UHFFFAOYSA-N
InChI=1S/C13H14O10/c14-4-1-2-5(11(18)19)6(3-4)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)
FOBI:08669
FOBI:08669
2,4-dihydroxybenzoic acid 2-glucuronide
HTVZPXVZCIIMAA-UHFFFAOYSA-N
InChI=1S/C13H14O10/c14-6-3-4(1-2-5(6)11(18)19)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)
FOBI:08670
FOBI:08670
2,4-dihydroxybenzoic acid 4-glucuronide
YMTKHYRBSOTLTP-UHFFFAOYSA-N
InChI=1S/C13H14O10/c14-4-1-2-6(5(3-4)11(18)19)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)
FOBI:08671
FOBI:08671
2,5-dihydroxybenzoic acid 2-glucuronide
BCTCNBZWJFQHRF-UHFFFAOYSA-N
InChI=1S/C13H14O10/c14-6-2-1-4(3-5(6)11(18)19)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)
FOBI:08672
FOBI:08672
2,5-dihydroxybenzoic acid 5-glucuronide
QDPNFTHYUAKYKM-UHFFFAOYSA-N
InChI=1S/C7H6O7S/c8-6-4(7(9)10)2-1-3-5(6)14-15(11,12)13/h1-3,8H,(H,9,10)(H,11,12,13)
FOBI:08673
FOBI:08673
2,3-dihydroxybenzoic acid 3-sulfate
DRJRXXDGTMEQKU-UHFFFAOYSA-N
InChI=1S/C7H6O7S/c8-6-3-4(14-15(11,12)13)1-2-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)
FOBI:08674
FOBI:08674
2,4-dihydroxybenzoic acid 4-sulfate
54473656
XKAUVSKGVSQBFW-UHFFFAOYSA-N
InChI=1S/C7H6O7S/c8-6-2-1-4(14-15(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)
FOBI:08675
FOBI:08675
2,5-dihydroxybenzoic acid 5-sulfate
CBVJYALZVWCCEC-WDXLFLMVSA-N
InChI=1S/C22H22O12/c1-31-12-3-2-8(4-10(12)24)13-7-11(25)16-14(32-13)5-9(23)6-15(16)33-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-6,13,17-20,22-24,26-28H,7H2,1H3,(H,29,30)/t13?,17-,18-,19+,20-,22+/m0/s1
FOBI:08676
FOBI:08676
hesperetin 5-glucuronide
131750808
AXWNOFHBYPBYNO-UHFFFAOYSA-N
InChI=1S/C16H14O9S/c1-23-12-3-2-8(4-14(12)25-26(20,21)22)13-7-11(19)16-10(18)5-9(17)6-15(16)24-13/h2-6,13,17-18H,7H2,1H3,(H,20,21,22)
FOBI:08677
FOBI:08677
hesperetin 3'-sulfate
QRULBSSBAHHSES-ZDUSSCGKSA-N
InChI=1S/C16H14O9S/c1-23-12-3-2-8(4-10(12)18)13-7-11(19)16-14(24-13)5-9(17)6-15(16)25-26(20,21)22/h2-6,13,17-18H,7H2,1H3,(H,20,21,22)/t13-/m0/s1
FOBI:08678
FOBI:08678
hesperetin 5-sulfate
YFLHDBYZUJBQGB-DKBOKBLXSA-N
InChI=1S/C15H18O9/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/h1-3,6,10-13,15,18-20H,4-5H2,(H,16,17)(H,21,22)/t10-,11-,12+,13-,15+/m0/s1
FOBI:08679
FOBI:08679
3-(3-hydroxyphenyl)propionic acid glucuronide
WALCYTHTBOWOFF-PDWCTOEPSA-N
InChI=1S/C15H18O9/c16-9(17)6-3-7-1-4-8(5-2-7)23-15(22)13-11(19)10(18)12(20)14(21)24-13/h1-2,4-5,10-14,18-21H,3,6H2,(H,16,17)/t10-,11-,12+,13-,14+/m0/s1
FOBI:08680
FOBI:08680
3-(4-hydroxyphenyl)propionic acid glucuronide
49844036
YKAVCSNFDHAGEG-UHFFFAOYSA-N
InChI=1S/C9H10O6S/c10-9(11)6-3-7-1-4-8(5-2-7)15-16(12,13)14/h1-2,4-5H,3,6H2,(H,10,11)(H,12,13,14)
FOBI:08682
FOBI:08682
3-(4-hydroxyphenyl)propionic acid sulfate
71260093
QGMVQGQNIUVPMC-MLGOLLRUSA-N
InChI=1S/C16H16O9S/c1-23-15-4-8(2-3-13(15)25-26(20,21)22)16-12(19)7-10-11(18)5-9(17)6-14(10)24-16/h2-6,12,16-19H,7H2,1H3,(H,20,21,22)/t12-,16-/m1/s1
FOBI:08683
FOBI:08683
3'-methylepicatechin 4'-sulfate
ZFUHNDPCTCXKQO-MLGOLLRUSA-N
InChI=1S/C16H16O9S/c1-23-15-4-8(2-3-11(15)18)16-12(19)7-10-13(24-16)5-9(17)6-14(10)25-26(20,21)22/h2-6,12,16-19H,7H2,1H3,(H,20,21,22)/t12-,16-/m1/s1
FOBI:08684
FOBI:08684
3'-methylepicatechin 5-sulfate
RIKCESGMRQZLKQ-CZUORRHYSA-N
InChI=1S/C16H16O9S/c1-23-15-4-8(2-3-11(15)17)16-13(19)7-10-12(18)5-9(6-14(10)24-16)25-26(20,21)22/h2-6,13,16-19H,7H2,1H3,(H,20,21,22)/t13-,16-/m1/s1
FOBI:08685
FOBI:08685
3'-methylepicatechin 7-sulfate
PCLCJMJFLFTHDU-MLGOLLRUSA-N
InChI=1S/C16H16O9S/c1-23-13-3-2-8(4-15(13)25-26(20,21)22)16-12(19)7-10-11(18)5-9(17)6-14(10)24-16/h2-6,12,16-19H,7H2,1H3,(H,20,21,22)/t12-,16-/m1/s1
FOBI:08686
FOBI:08686
4'-methylepicatechin 3'-sulfate
71579213
JSNCQMRECHVQQQ-MLGOLLRUSA-N
InChI=1S/C16H16O9S/c1-23-13-3-2-8(4-11(13)18)16-12(19)7-10-14(24-16)5-9(17)6-15(10)25-26(20,21)22/h2-6,12,16-19H,7H2,1H3,(H,20,21,22)/t12-,16-/m1/s1
FOBI:08687
FOBI:08687
4'-methylepicatechin 5-sulfate
NCEYJABYRYYGNC-CZUORRHYSA-N
InChI=1S/C16H16O9S/c1-23-14-3-2-8(4-12(14)18)16-13(19)7-10-11(17)5-9(6-15(10)24-16)25-26(20,21)22/h2-6,13,16-19H,7H2,1H3,(H,20,21,22)/t13-,16-/m1/s1
FOBI:08688
FOBI:08688
4'-methylepicatechin 7-sulfate
XFEXVGIHNGUIFM-UHFFFAOYSA-N
InChI=1S/C14H16O11/c1-23-6-3-4(12(19)20)2-5(15)10(6)24-14-9(18)7(16)8(17)11(25-14)13(21)22/h2-3,7-9,11,14-18H,1H3,(H,19,20)(H,21,22)
FOBI:08689
FOBI:08689
3-methylgallic acid 4-glucuronide
ILWDNUVZYSRINE-UHFFFAOYSA-N
InChI=1S/C14H16O11/c1-23-5-2-4(12(19)20)3-6(7(5)15)24-14-10(18)8(16)9(17)11(25-14)13(21)22/h2-3,8-11,14-18H,1H3,(H,19,20)(H,21,22)
FOBI:08690
FOBI:08690
3-methylgallic acid 5-glucuronide
OEYVJQPXEVSKDH-NJNVDNPHSA-N
InChI=1S/C14H16O11/c1-23-10-5(15)2-4(12(19)20)3-6(10)24-14-9(18)7(16)8(17)11(25-14)13(21)22/h2-3,7-9,11,14-18H,1H3,(H,19,20)(H,21,22)/t7-,8?,9?,11-,14+/m0/s1
FOBI:08691
FOBI:08691
4-methylgallic acid 3-glucuronide
QUGZPKOJDPDIDP-UHFFFAOYSA-N
InChI=1S/C8H8O8S/c1-15-6-3-4(8(10)11)2-5(9)7(6)16-17(12,13)14/h2-3,9H,1H3,(H,10,11)(H,12,13,14)
FOBI:08692
FOBI:08692
3-methylgallic acid 4-sulfate
JIMIRVGENXXZSQ-UHFFFAOYSA-N
InChI=1S/C8H10O8S/c1-15-5-2-4(8(10)11)3-6(7(5)9)16-17(12,13)14/h2-3,5,7,9H,1H3,(H,10,11)(H,12,13,14)
FOBI:08693
FOBI:08693
3-methylgallic acid 5-sulfate
9000783
10825483
LMJIEJLSDJBABY-UHFFFAOYSA-N
InChI=1S/C8H8O8S/c1-15-7-5(9)2-4(8(10)11)3-6(7)16-17(12,13)14/h2-3,9H,1H3,(H,10,11)(H,12,13,14)
FOBI:08694
FOBI:08694
4-methylgallic acid 3-sulfate
WIRBFTWUCRQZDH-UHFFFAOYSA-N
InChI=1S/C13H16O9/c1-20-6-4-2-3-5(14)10(6)21-13-9(17)7(15)8(16)11(22-13)12(18)19/h2-4,7-9,11,13-17H,1H3,(H,18,19)
FOBI:08695
FOBI:08695
1-methylpyrogallol 2-glucuronide
ZCXVNAUYGLECEF-UHFFFAOYSA-N
InChI=1S/C13H16O9/c1-20-5-3-2-4-6(7(5)14)21-13-10(17)8(15)9(16)11(22-13)12(18)19/h2-4,8-11,13-17H,1H3,(H,18,19)
FOBI:08696
FOBI:08696
1-methylpyrogallol 3-glucuronide
PCYIQKIPHUBFMX-JDQAZDLZSA-N
InChI=1S/C13H16O9/c1-20-10-5(14)3-2-4-6(10)21-13-9(17)7(15)8(16)11(22-13)12(18)19/h2-4,7-9,11,13-17H,1H3,(H,18,19)/t7-,8-,9+,11-,13+/m0/s1
FOBI:08697
FOBI:08697
2-methylpyrogallol 1-glucuronide
DIWVSUYQBQOOTK-UHFFFAOYSA-N
InChI=1S/C7H8O6S/c1-12-6-4-2-3-5(8)7(6)13-14(9,10)11/h2-4,8H,1H3,(H,9,10,11)
FOBI:08698
FOBI:08698
1-methylpyrogallol 2-sulfate
NTXOJWKIHIOUQN-UHFFFAOYSA-N
InChI=1S/C7H8O6S/c1-12-5-3-2-4-6(7(5)8)13-14(9,10)11/h2-4,8H,1H3,(H,9,10,11)
FOBI:08699
FOBI:08699
1-methylpyrogallol 3-sulfate
122164840
ARLAWMCEVZUXEY-UHFFFAOYSA-N
InChI=1S/C7H8O6S/c1-12-7-5(8)3-2-4-6(7)13-14(9,10)11/h2-4,8H,1H3,(H,9,10,11)
FOBI:08700
FOBI:08700
2-methylpyrogallol 1-sulfate
91312540
DFIUUCDSSKATFP-DNPGXZAYSA-N
InChI=1S/C21H20O11/c22-9-5-11(23)15-12(24)7-13(31-14(15)6-9)8-1-3-10(4-2-8)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,13,16-19,21-23,25-27H,7H2,(H,28,29)/t13?,16-,17-,18+,19-,21+/m0/s1
FOBI:08701
FOBI:08701
naringenin 4'-glucuronide
101242747
ZTQGTBHHQGGBSV-ATVZYYHQSA-N
InChI=1S/C21H20O11/c22-9-3-1-8(2-4-9)12-7-11(24)15-13(30-12)5-10(23)6-14(15)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,12,16-19,21-23,25-27H,7H2,(H,28,29)/t12?,16-,17-,18+,19-,21+/m0/s1
FOBI:08702
FOBI:08702
naringenin 5-glucuronide
11078674
LQAWJBRSYCPTLK-ZDUSSCGKSA-N
InChI=1S/C15H12O8S/c16-9-5-11(17)15-12(18)7-13(22-14(15)6-9)8-1-3-10(4-2-8)23-24(19,20)21/h1-6,13,16-17H,7H2,(H,19,20,21)/t13-/m0/s1
FOBI:08703
FOBI:08703
naringenin 4'-sulfate
TUKMNFQGFNNJQM-UHFFFAOYSA-O
InChI=1S/C15H12O8S/c16-9-3-1-8(2-4-9)12-7-11(18)15-13(22-12)5-10(17)6-14(15)23-24(19,20)21/h1-6,12,16-17H,7H2,(H,19,20,21)/p+1
FOBI:08704
FOBI:08704
naringenin 5-sulfate
LCXKYLMSILXZFG-ZDUSSCGKSA-N
InChI=1S/C15H12O8S/c16-9-3-1-8(2-4-9)13-7-12(18)15-11(17)5-10(6-14(15)22-13)23-24(19,20)21/h1-6,13,16-17H,7H2,(H,19,20,21)/t13-/m0/s1
FOBI:08705
FOBI:08705
naringenin 7-sulfate
102579638
KXBXNRJGUDTJQS-KSPMYQCISA-N
InChI=1S/C19H16O10/c20-7-1-3-9-10-4-2-8(6-12(10)28-18(26)11(9)5-7)27-19-15(23)13(21)14(22)16(29-19)17(24)25/h1-6,13-16,19-23H,(H,24,25)/t13-,14-,15+,16-,19+/m0/s1
FOBI:08706
FOBI:08706
urolithin a 3-glucuronide
131708293
QMPHAAMUHRNZSL-KSPMYQCISA-N
InChI=1S/C19H16O10/c20-7-1-3-10-9-4-2-8(6-11(9)18(26)28-12(10)5-7)27-19-15(23)13(21)14(22)16(29-19)17(24)25/h1-6,13-16,19-23H,(H,24,25)/t13-,14-,15+,16-,19+/m0/s1
FOBI:08707
FOBI:08707
urolithin a 8-glucuronide
WMPNAWQWWZFJTQ-UHFFFAOYSA-N
InChI=1S/C13H8O7S/c14-7-1-3-9-10-4-2-8(20-21(16,17)18)6-12(10)19-13(15)11(9)5-7/h1-6,14H,(H,16,17,18)
FOBI:08708
FOBI:08708
urolithin a 3-sulfate
WMPNAWQWWZFJTQ-UHFFFAOYSA-N
InChI=1S/C13H8O7S/c14-7-1-3-9-10-4-2-8(20-21(16,17)18)6-12(10)19-13(15)11(9)5-7/h1-6,14H,(H,16,17,18)
FOBI:08709
FOBI:08709
urolithin a 8-sulfate
FTDMUGVYLIJMHW-JLBGVFTDSA-N
InChI=1S/C17H20O9/c18-11-6-5-10(24-11)7-8-1-3-9(4-2-8)25-17-14(21)12(19)13(20)15(26-17)16(22)23/h1-4,10,12-15,17,19-21H,5-7H2,(H,22,23)/t10?,12-,13?,14?,15-,17+/m0/s1
FOBI:08710
FOBI:08710
5-(4’-hydroxyphenyl)-γ-valerolactone 4'-glucuronide
OXASBXALVLRTKO-UHFFFAOYSA-N
InChI=1S/C11H12O3/c12-9-3-1-8(2-4-9)7-10-5-6-11(13)14-10/h1-4,10,12H,5-7H2
FOBI:08711
FOBI:08711
5-(4’-hydroxyphenyl)-γ-valerolactone
QKRQBODPNMXFLS-QMMMGPOBSA-N
InChI=1S/C11H14O5/c12-8(1-2-11(15)16)3-7-4-9(13)6-10(14)5-7/h4-6,8,12-14H,1-3H2,(H,15,16)/t8-/m0/s1
FOBI:08803
FOBI:08803
4-hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid
WLNKHXJGCCKROC-ZWLNVBLQSA-N
InChI=1S/C17H22O11/c18-8(1-2-11(20)21)3-7-4-9(19)6-10(5-7)27-17-14(24)12(22)13(23)15(28-17)16(25)26/h4-6,8,12-15,17-19,22-24H,1-3H2,(H,20,21)(H,25,26)/t8?,12-,13?,14?,15-,17+/m0/s1
FOBI:08804
FOBI:08804
4-hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid glucuronide
KZIXDBSFYKKBMP-UHFFFAOYSA-N
InChI=1S/C11H14O8S/c12-8(1-2-11(14)15)3-7-4-9(13)6-10(5-7)19-20(16,17)18/h4-6,8,12-13H,1-3H2,(H,14,15)(H,16,17,18)
FOBI:08805
FOBI:08805
4-hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid sulfate
49831816
KTDWBJGUMIZRHU-UHFFFAOYSA-N
InChI=1S/C11H14O4/c12-9-6-5-8(7-10(9)13)3-1-2-4-11(14)15/h5-7,12-13H,1-4H2,(H,14,15)
FOBI:08806
FOBI:08806
3,4-dihydroxyphenylvaleric acid
PFXCVFMGZFVRNQ-IASGZQPQSA-N
InChI=1S/C17H22O10/c18-9-6-5-8(3-1-2-4-11(19)20)7-10(9)26-17-14(23)12(21)13(22)15(27-17)16(24)25/h5-7,12-15,17-18,21-23H,1-4H2,(H,19,20)(H,24,25)/t12-,13?,14?,15-,17+/m0/s1
FOBI:08807
FOBI:08807
3,4-dihydroxyphenylvaleric acid 3 glucuronide
OUPGXCOAIUBOQD-UHFFFAOYSA-N
InChI=1S/C11H14O7S/c12-9-6-5-8(3-1-2-4-11(13)14)7-10(9)18-19(15,16)17/h5-7,12H,1-4H2,(H,13,14)(H,15,16,17)
FOBI:08808
FOBI:08808
3,4-dihydroxyphenylvaleric acid 3 sulfate
UGIYSEJJABCPSW-NQKOESPWSA-N
InChI=1S/C17H22O10/c18-9-7-8(3-1-2-4-11(19)20)5-6-10(9)26-17-14(23)12(21)13(22)15(27-17)16(24)25/h5-7,12-15,17-18,21-23H,1-4H2,(H,19,20)(H,24,25)/t12-,13?,14?,15-,17+/m1/s1
FOBI:08809
FOBI:08809
3,4-dihydroxyphenylvaleric acid 4 glucuronide
CABZBRSEXWBGOQ-UHFFFAOYSA-N
InChI=1S/C11H14O7S/c12-9-7-8(3-1-2-4-11(13)14)5-6-10(9)18-19(15,16)17/h5-7,12H,1-4H2,(H,13,14)(H,15,16,17)
FOBI:08810
FOBI:08810
3,4-dihydroxyphenylvaleric acid 4 sulfate
QHXNJIMVPAFCPR-UHFFFAOYSA-N
InChI=1S/C11H14O4/c12-9-5-8(6-10(13)7-9)3-1-2-4-11(14)15/h5-7,12-13H,1-4H2,(H,14,15)
FOBI:08811
FOBI:08811
3,5-dihydroxyphenylvaleric acid
RLPWWOIWKYLCFU-IASGZQPQSA-N
InChI=1S/C17H22O10/c18-9-5-8(3-1-2-4-11(19)20)6-10(7-9)26-17-14(23)12(21)13(22)15(27-17)16(24)25/h5-7,12-15,17-18,21-23H,1-4H2,(H,19,20)(H,24,25)/t12-,13?,14?,15-,17+/m0/s1
FOBI:08812
FOBI:08812
3,5-dihydroxyphenylvaleric acid glucuronide
GXGQOCNOANVHKV-UHFFFAOYSA-N
InChI=1S/C11H14O7S/c12-9-5-8(3-1-2-4-11(13)14)6-10(7-9)18-19(15,16)17/h5-7,12H,1-4H2,(H,13,14)(H,15,16,17)
FOBI:08813
FOBI:08813
3,5-dihydroxyphenylvaleric acid sulfate
4947733
6443769
MFFCZSWTQMCKFP-OWOJBTEDSA-N
InChI=1S/C9H8O4/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h1-5,10-11H,(H,12,13)/b2-1+
FOBI:08814
FOBI:08814
3,5-dihydroxycinnamic acid
YIAFSKCUHLQEAH-MEPLRXLMSA-N
InChI=1S/C15H16O10/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/h1-5,10-13,15-16,19-21H,(H,17,18)(H,22,23)/b2-1+/t10-,11?,12?,13-,15+/m1/s1
FOBI:08815
FOBI:08815
3,5-dihydroxycinnamic acid glucuronide
KTPBHOMURDURSV-OWOJBTEDSA-N
InChI=1S/C9H8O7S/c10-7-3-6(1-2-9(11)12)4-8(5-7)16-17(13,14)15/h1-5,10H,(H,11,12)(H,13,14,15)/b2-1+
FOBI:08816
FOBI:08816
3,5-dihydroxycinnamic acid sulfate
71389989
RJGLFRQXIDISBX-UHFFFAOYSA-N
InChI=1S/C9H9NO5/c11-6-1-5(2-7(12)3-6)9(15)10-4-8(13)14/h1-3,11-12H,4H2,(H,10,15)(H,13,14)
FOBI:08817
FOBI:08817
n-(3,5-dihydroxybenzoyl)glycine
78265175
CJKONRHMUGBAQI-YFKPBYRVSA-N
InChI=1S/C6H13NO2/c1-5(6(8)9)7(2,3)4/h5H,1-4H3/t5-/m0/s1
FOBI:08818
FOBI:08818
alanine betaine
REWYJJRDEOKNBQ-ZETCQYMHSA-O
InChI=1S/C8H17NO2/c1-6(2)7(8(10)11)9(3,4)5/h6-7H,1-5H3/p+1/t7-/m0/s1
FOBI:08819
FOBI:08819
valine betaine
25837691
XTFQIRIHLGODFV-NSHDSACASA-N
InChI=1S/C12H17NO2/c1-13(2,3)11(12(14)15)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m0/s1
FOBI:08820
FOBI:08820
phenylalanine betaine
390180
441447
XULZWQRXYTVUTE-ZETCQYMHSA-N
InChI=1S/C8H15NO2/c1-9(2)6-4-3-5-7(9)8(10)11/h7H,3-6H2,1-2H3/t7-/m0/s1
FOBI:08821
FOBI:08821
pipecolic acid betaine
866
HMDB03502
890
IMQLKJBTEOYOSI-UHFFFAOYSA-N
InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)
FOBI:08822
FOBI:08822
phytic acid
FOBI:0172
Meats
FOODON:00001006
FOBI:0010
cheese
FOODON:00001013
FOBI:0012
yogurt
FOODON:00001014
FOBI:0197
beef
FOODON:00001041
FOBI:0215
Seafood
FOODON:00001046
FOBI:0049
Fruits
FOODON:00001057
FOBI:07542
FOODON:00001059
FOBI:0207
bacon
FOODON:00001061
FOBI:0186
Poultry
FOODON:00001131
FOBI:0028
Tea products
FOODON:00001138
FOBI:0027
Coffee products
FOODON:00001139
FOBI:0130
Tubers
FOODON:00001146
FOBI:0060
Citrus
FOODON:00001151
FOBI:0075
Pomes
FOODON:00001158
FOBI:0086
Cruciferous
FOODON:00001169
FOBI:0270
bread
FOODON:00001183
FOBI:008142
rye
FOODON:00001190
FOBI:0137
Pulses
FOODON:00001209
FOBI:0002
Cocoa and cocoa products
FOODON:00001215
FOBI:0121
Herbs and spices
FOODON:00001242
FOBI:0005
Dairy products
FOODON:00001256
FOBI:0020
Milk products
FOODON:00001257
FOBI:0050
Vegetables
FOODON:00001261
FOBI:0136
Legumes
FOODON:00001264
FOBI:0033
Eggs
FOODON:00001274
FOBI:0034
Chicken eggs
FOODON:00001275
FOBI:07553
cake
FOODON:00001278
FOBI:0133
FOODON:00001287
FOBI:007949
lasagne
FOODON:00001302
FOBI:0275
black pepper
FOODON:00001650
FOBI:0140
Cereal products
FOODON:00001709
FOBI:0273
corn
FOODON:00001765
FOBI:0279
dry corn
FOODON:00001845
FOBI:0071
Gourds
FOODON:00001915
FOBI:0097
red pepper
FOODON:00001956
FOBI:0111
lettuce
FOODON:00001998
FOBI:0015
Alcohols
FOODON:00002123
FOBI:0066
prune
FOODON:00002176
FOBI:0177
salmon
FOODON:00002220
FOBI:040228
Sandwiches
FOODON:00002222
FOBI:040227
Soups
FOODON:00002257
FOBI:0065
Drupes
FOODON:00002277
FOBI:07531
sweet potato
FOODON:00002297
FOBI:07513
Waters
FOODON:00002340
FOBI:07573
roquefort
FOODON:00002424
FOBI:0132
Mushrooms
FOODON:00002434
FOBI:0110
FOODON:00002439
FOBI:07587
biscuit
FOODON:00002466
FOBI:0076
apple
FOODON:00002473
FOBI:08719
FOODON:00002475
FOBI:07508
Prepared foods
FOODON:00002501
FOBI:0208
ham
FOODON:00002502
FOBI:007948
kebab
FOODON:00002528
FOBI:07568
brownie
FOODON:00002562
FOBI:0036
Fats and oils
FOODON:00002664
FOBI:07589
FOODON:00002711
FOBI:0150
ginger
FOODON:00002718
FOBI:0198
hamburger
FOODON:00002737
FOBI:0158
Beans
FOODON:00002753
FOBI:07565
black bean
FOODON:00002889
FOBI:040226
FOODON:00002933
FOBI:0274
yellow pepper
FOODON:00003012
FOBI:0095
pepper
FOODON:00003013
FOBI:0134
shallot
FOODON:00003019
FOBI:07567
cumin
FOODON:00003024
FOBI:0122
Herbs
FOODON:00003042
FOBI:007947
FOODON:00003049
FOBI:0085
pomegranate
FOODON:00003066
FOBI:0201
FOODON:00003083
FOBI:008143
barley
FOODON:00003108
FOBI:007970
FOODON:00003140
FOBI:07521
FOODON:00003157
FOBI:07580
FOODON:00003229
FOBI:07536
FOODON:00003230
FOBI:007977
tropezienne
FOODON:00003231
FOBI:007935
bolognese
FOODON:00003232
FOBI:007937
bourguignon
FOODON:00003233
FOBI:007938
brochette
FOODON:00003235
FOBI:007940
carbonara
FOODON:00003236
FOBI:007963
FOODON:00003238
FOBI:007962
FOODON:00003239
FOBI:007976
FOODON:00003240
FOBI:007975
tagine
FOODON:00003241
FOBI:007972
FOODON:00003242
FOBI:007971
FOODON:00003243
FOBI:007968
souffle
FOODON:00003244
FOBI:007958
FOODON:00003245
FOBI:0211
proscuitto
FOODON:00003246
FOBI:07574
parmesan
FOODON:00003247
FOBI:007954
FOODON:00003248
FOBI:0209
FOODON:00003249
FOBI:007953
FOODON:00003250
FOBI:0271
FOODON:00003251
FOBI:007985
FOODON:00003252
FOBI:007952
FOODON:00003253
FOBI:007951
millefeuille
FOODON:00003254
FOBI:08721
FOODON:00003255
FOBI:07519
ipa
FOODON:00003257
FOBI:07537
greek yogurt
FOODON:00003258
FOBI:007934
bechamel
FOODON:00003259
FOBI:07539
FOODON:00003260
FOBI:007933
FOODON:00003261
FOBI:007932
FOODON:00003263
FOBI:007931
fondue bourguignonne
FOODON:00003264
FOBI:0037
Fats
FOODON:00003265
FOBI:0074
figs
FOODON:00003266
FOBI:07560
Flavoring agents
FOODON:00003267
FOBI:007941
FOODON:00003268
FOBI:007930
croc monsieur
FOODON:00003269
FOBI:0212
ribs
FOODON:00003270
FOBI:007942
fajitas
FOODON:00003271
FOBI:007929
cordon bleu
FOODON:00003272
FOBI:07544
FOODON:00003274
black coffee
FOBI:08720
FOODON:00003275
tiramisu
FOBI:07590
FOODON:00003276
red velvet
FOBI:0031
FOODON:00003277
red tea
FOBI:007961
FOODON:00003278
raclette
FOBI:007969
FOODON:00003280
soup
FOBI:0181
FOODON:00003281
White fish
FOBI:0277
spaghetti
FOODON:03301005
FOBI:040230
coffee
FOODON:03301036
FOBI:0073
watermelon
FOODON:03301040
FOBI:07523
FOODON:03301055
FOBI:07552
cocoa powder
FOODON:03301072
FOBI:07532
FOODON:03301103
FOBI:07566
FOODON:03301105
FOBI:07530
nectarine
FOODON:03301107
FOBI:0269
FOODON:03301116
FOBI:008103
Grapes
FOODON:03301123
FOBI:07545
brown rice
FOODON:03301136
FOBI:07548
FOODON:03301175
FOBI:07562
FOODON:03301217
FOBI:0052
blackberry
FOODON:03301236
FOBI:0068
cherry
FOODON:03301240
FOBI:0059
raisins
FOODON:03301283
FOBI:07534
peanuts
FOODON:03301299
FOBI:0160
Peas
FOODON:03301300
FOBI:0088
cabbage
FOODON:03301326
FOBI:07520
almonds
FOODON:03301355
FOBI:0281
FOODON:03301397
FOBI:00898
Soy
FOODON:03301415
FOBI:07558
FOODON:03301440
FOBI:0063
lemon
FOODON:03301441
FOBI:0115
potato
FOODON:03301449
FOBI:07559
ketchup
FOODON:03301460
FOBI:0042
FOODON:03301474
FOBI:07571
oregano
FOODON:03301482
FOBI:0009
skimmed milk
FOODON:03301483
FOBI:07538
natural yogurt
FOODON:03301502
FOBI:0103
cucumber
FOODON:03301545
FOBI:0094
carrot
FOODON:03301570
FOBI:07533
squash
FOODON:03301577
FOBI:0070
plum
FOODON:03301580
FOBI:07588
FOODON:03301585
FOBI:0072
melon
FOODON:03301593
FOBI:0022
FOODON:03301619
FOBI:07579
FOODON:03301632
FOBI:07555
fruit cake
FOODON:03301635
FOBI:0144
rice
FOODON:03301641
FOBI:007957
FOODON:03301660
FOBI:0039
FOODON:03301672
FOBI:0096
pumpkin
FOODON:03301697
FOBI:0067
apricot
FOODON:03301701
FOBI:0061
grapefruit
FOODON:03301702
FOBI:0127
onion
FOODON:03301704
FOBI:07569
FOODON:03301705
FOBI:0087
broccoli
FOODON:03301713
FOBI:0113
spinach
FOODON:03301716
FOBI:0069
peach
FOODON:03301719
FOBI:0057
strawberry
FOODON:03301722
FOBI:0077
pear
FOODON:03301724
FOBI:0108
celery
FOODON:03301727
FOBI:07583
FOODON:03301729
FOBI:0131
artichoke
FOODON:03301773
FOBI:0082
mango
FOODON:03301813
FOBI:0046
FOODON:03301826
FOBI:0083
papaya
FOODON:03301830
FOBI:0084
pineapple
FOODON:03301831
FOBI:0116
chips
FOODON:03301833
FOBI:07591
FOODON:03301889
FOBI:007965
FOODON:03301906
FOBI:0011
Beverages
FOODON:03301977
FOBI:0054
blueberry
FOODON:03302045
FOBI:07517
FOODON:03302111
FOBI:0007
milk
FOODON:03302116
FOBI:07540
FOODON:03302379
FOBI:07549
cheddar
FOODON:03302458
FOBI:0109
chicory
FOODON:03302727
FOBI:0089
cauliflower
FOODON:03302732
FOBI:07577
FOODON:03302775
FOBI:0044
soy oil
FOODON:03302776
FOBI:07586
ricotta
FOODON:03302908
FOBI:0080
coconut
FOODON:03303085
FOBI:07546
FOODON:03303207
FOBI:0023
wine
FOODON:03303222
FOBI:0123
Spices
FOODON:03303380
FOBI:040224
Hot sauces
FOODON:03304006
FOBI:0278
ravioli
FOODON:03304595
FOBI:0030
green tea
FOODON:03304639
FOBI:0029
black tea
FOODON:03304640
FOBI:0090
radish
FOODON:03304656
FOBI:07526
coleslaw
FOODON:03304707
FOBI:07564
kale
FOODON:03304859
FOBI:0124
garlic
FOODON:03305208
FOBI:0100
avocado
FOODON:03305236
FOBI:0078
Tropical fruits
FOODON:03305237
FOBI:0041
Vegetable oils
FOODON:03305263
FOBI:0081
guava
FOODON:03305317
FOBI:07554
FOODON:03305417
FOBI:07578
FOODON:03305518
FOBI:0058
Dried fruits
FOODON:03305656
FOBI:07509
FOODON:03306255
FOBI:0143
FOODON:03306347
FOBI:07543
whole milk
FOODON:03306581
FOBI:0151
Nuts
FOODON:03306632
FOBI:0161
chickpeas
FOODON:03306811
FOBI:07535
FOODON:03306867
FOBI:0051
Berries
FOODON:03306893
FOBI:0276
noodles
FOODON:03306944
FOBI:0056
raspberry
FOODON:03307119
FOBI:007959
FOODON:03307177
FOBI:0003
FOODON:03307240
FOBI:07515
sparkling water
FOODON:03307294
FOBI:0008
semi skimmed milk
FOODON:03307458
FOBI:0098
turnip
FOODON:03307633
FOBI:007973
FOODON:03307744
FOBI:007967
egg sandwich
FOODON:03307770
FOBI:007939
FOODON:03309462
FOBI:07582
FOODON:03309491
FOBI:0104
eggplant
FOODON:03309709
FOBI:0064
orange
FOODON:03309832
FOBI:0146
oat
FOODON:03309855
FOBI:0112
rhubarb
FOODON:03309858
FOBI:0105
tomato
FOODON:03309927
FOBI:07561
salt
FOODON:03309954
FOBI:07547
rice cake
FOODON:03309985
FOBI:0147
quinoa
FOODON:03310193
FOBI:0043
FOODON:03310232
FOBI:07541
FOODON:03310272
FOBI:07575
FOODON:03310273
FOBI:07570
FOODON:03310290
FOBI:0013
FOODON:03310351
FOBI:0045
sunflower oil
FOODON:03310357
FOBI:0040
Oils
FOODON:03310387
FOBI:00539
Diet carbonated soft drinks
FOODON:03310547
FOBI:07556
Bakery products
FOODON:03310635
FOBI:0156
Lentils
FOODON:03310641
FOBI:007944
falafel
FOODON:03310709
FOBI:007955
pizza
FOODON:03310775
FOBI:00538
Carbonated soft drinks
FOODON:03310815
FOBI:07529
FOODON:03310820
FOBI:0091
rocket
FOODON:03310858
FOBI:0106
zucchini
FOODON:03310943
FOBI:0141
Refined grain cereal products
FOODON:03311095
FOBI:07557
Sauces
FOODON:03311146
FOBI:0129
asparagus
FOODON:03311349
FOBI:0079
banana
FOODON:03311513
FOBI:007982
FOODON:03311555
FOBI:0053
blackcurrant
FOODON:03311604
FOBI:0200
steak
FOODON:03311663
FOBI:0126
leek
FOODON:03311757
FOBI:007966
FOODON:03312036
FOBI:0213
FOODON:03312067
FOBI:040231
tea
FOODON:03315081
FOBI:0047
olive
FOODON:03315145
FOBI:008141
FOODON:03315184
FOBI:07563
FOODON:03315258
FOBI:0017
Fermented milk products
FOODON:03315513
FOBI:07525
FOODON:03315751
FOBI:0214
sausages
FOODON:03315904
FOBI:007964
FOODON:03316042
FOBI:0035
egg
FOODON:03316061
FOBI:07516
flavored water
FOODON:03316114
FOBI:040220
Dishes
FOODON:03316636
FOBI:0038
Vegetable fats
FOODON:03316694
FOBI:0093
FOODON:03317254
FOBI:07576
Distilled alcohols
FOODON:03317365
FOBI:007946
FOODON:03317446
FOBI:0280
FOODON:03317508
FOBI:0128
Shoot vegetables
FOODON:03411005
FOBI:0184
FOODON:03411043
FOBI:0206
Pork
FOODON:03411136
FOBI:0196
Cow
FOODON:03411161
FOBI:0220
FOODON:03411205
FOBI:0174
FOODON:03411222
FOBI:0190
turkey
FOODON:03411236
FOBI:0217
FOODON:03411237
FOBI:0179
FOODON:03411258
FOBI:0180
FOODON:03411269
FOBI:0189
FOODON:03411316
FOBI:0191
FOODON:03411323
FOBI:0139
Grains
FOODON:03411324
FOBI:0202
FOODON:03411328
FOBI:0221
FOODON:03411335
FOBI:0216
Crustaceans
FOODON:03411374
FOBI:0182
FOODON:03411423
FOBI:0188
FOODON:03411457
FOBI:0102
courgette
FOODON:03411462
FOBI:0175
Blue fish
FOODON:03411512
FOBI:0219
FOODON:03411514
FOBI:0178
sardines
FOODON:03411558
FOBI:0107
Leafy vegetables
FOODON:03411566
FOBI:0204
FOODON:03411669
FOBI:0176
FOODON:03411854
FOBI:0218
FOODON:03412112
FOBI:0194
FOODON:03412248
FOBI:0183
FOODON:03413878
FOBI:0062
FOODON:03414363
FOBI:0163
Sugars
FOODON:03420108
FOBI:0167
FOODON:03420156
FOBI:0170
FOODON:03420157
FOBI:0199
FOODON:03530027
FOBI:008139
NCBITaxon:99568
curcuma
FOBI:0169
UBERON:0036016
HMDB0001870
C00539
WPYMKLBDIGXBTP-UHFFFAOYSA-N
FOBI:050001
benzoic acid
UNZWRTIHFRATTA-UHFFFAOYSA-N
FOBI:050002
2,6-dihydroxybenzoic acid glucuronide
AKVBVZKHKYRBGR-UHFFFAOYSA-N
FOBI:050003
2,3-dihydroxybenzoic acid 2-sulfate
QHDLTZVVAZWIPB-UHFFFAOYSA-N
FOBI:050004
2,4-dihydroxybenzoic acid 2-sulfate
KCEDAVRJNCRNGJ-UHFFFAOYSA-N
FOBI:050005
2,5-dihydroxybenzoic acid 2-sulfate
OBLLRWZSZCYGCW-UHFFFAOYSA-N
FOBI:050006
2,6-dihydroxybenzoic acid sulfate
HMDB0000209
C07086
WLJVXDMOQOGPHL-UHFFFAOYSA-N
FOBI:050007
phenylacetic acid
HMDB0000930
C10438
WBYWAXJHAXSJNI-VOTSOKGWSA-N
FOBI:050008
trans-cinnamic acid
HMDB0030677
C06738
NGSWKAQJJWESNS-UTCJRWHESA-N
FOBI:050009
cis p-coumaric acid
SOKJXEKPKWKYKR-ARYKGQTKSA-N
FOBI:050010
cis p-coumaric acid glucuronide
OYDCCWNLILCHDJ-UTCJRWHESA-N
FOBI:050011
cis p-coumaric acid sulfate
KSEBMYQBYZTDHS-HYXAFXHYSA-N
FOBI:050012
cis ferulic acid
TWSIWBHKRJLZCF-XGYWJOOESA-N
FOBI:050013
cis ferulic acid 4-glucuronide
PZPATWACAAOHTJ-HYXAFXHYSA-N
FOBI:050014
cis ferulic acid 4-sulfate
HMDB0034069
PCMORTLOPMLEFB-ARJAWSKDSA-N
FOBI:050015
cis sinapic acid
HMDB0000764
C05629
XMIIGOLPHOKFCH-UHFFFAOYSA-N
FOBI:050016
phenylpropionic acid
HMDB0033752
C01198
CJBDUOMQLFKVQC-UHFFFAOYSA-N
FOBI:050017
3-(2-hydroxyphenyl)propionic acid
VNFALAKTVPEPJX-UHFFFAOYSA-N
FOBI:050018
3-(2-hydroxyphenyl)propionic acid glucuronide
GFRZSBZWGKDEGA-UHFFFAOYSA-N
FOBI:050019
3-(2-hydroxyphenyl)propionic acid sulfate
HMDB0240450
QHXNJIMVPAFCPR-UHFFFAOYSA-N
FOBI:050020
3-(3,5-dihydroxyphenyl)pentanoic acid
HMDB0240451
RLPWWOIWKYLCFU-IASGZQPQSA-N
FOBI:050021
3-(3,5-dihydroxyphenyl)pentanoic acid glucuronide
HMDB0240452
GXGQOCNOANVHKV-UHFFFAOYSA-N
FOBI:050022
3-(3,5-dihydroxyphenyl)pentanoic acid sulfate
QGXITCCVKOBDDI-UHFFFAOYSA-N
FOBI:050023
2-(3,5-dihydroxyphenyl)ethanol sulfate
HMDB0240434
KZOBTPYFLMPYPM-UKDLGEHVSA-N
FOBI:050024
catechin 3-glucuronide
HMDB0127727
FDWDKTKDGDLDTP-QCBBCZTKSA-N
FOBI:050025
catechin 7-glucuronide
HMDB0127728
BUONZQIZWIITTB-FSDQAXRCSA-N
FOBI:050026
catechin 3'-glucuronide
HMDB0240435
KZOBTPYFLMPYPM-NRZZOOGVSA-N
FOBI:050027
epicatechin 3-glucuronide
HMDB0240437
FLSYXGAHKYHTCZ-LSDHHAIUSA-N
FOBI:050028
catechin 3-sulfate
HMDB0240436
RTMISWLJQDWIPT-DZGCQCFKSA-N
FOBI:050029
catechin 7-sulfate
306665
HMDB0035698
C10682
C10682
119205
MATGKVZWFZHCLI-LSDHHAIUSA-N
InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1
FOBI:050030
12725654
12725654; 16302745
12725654; 16302745; 15877880
15877880
15877880; 16898863
16302745
16302745; 15877880
16898863
16898863; 15877880
17261017; 15877880
17975893
17975893; 12725654
17975893; 12725654; 15877880
17975893; 12725654; 16898863; 15877880
17975893; 15877880
17975893; 16302745
17975893; 16302745; 16898863; 15877880
17975893; 16898863
17975893; 16898863; 15877880
17975893; 23442648; 16898863
17975893; 23442648; 16898863; 15877880
18163563; 15877880; 16898863
18671400
18671400; 15877880
18671400; 16898863
19373603
19373603; 15877880
19373603; 15877880; 16898863
19373603; 16302745; 15877880
19373603; 16898863
19373603; 8789715; 16898863
23442648
8789715
8789715; 15877880
9505801
matairesinol
GUJNNQFVFGFZPK-UHFFFAOYSA-N
FOBI:050031
hydroxymatairesinol 4'-glucuronide
HUFQFNXBADQYPW-UHFFFAOYSA-N
FOBI:050032
hydroxymatairesinol 4''-glucuronide
CHGHIPGTRZZHEK-UHFFFAOYSA-N
FOBI:050033
hydroxymatairesinol 7-glucuronide
58845
HMDB0013692
C18167
C18167
11646293
PUETUDUXMCLALY-HOTGVXAUSA-N
InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1
FOBI:050034
12725654
12725654; 16302745
12725654; 16302745; 15877880
15877880
15877880; 16898863
16302745
16302745; 15877880
16898863
16898863; 15877880
17261017; 15877880
17975893
17975893; 12725654
17975893; 12725654; 15877880
17975893; 12725654; 16898863; 15877880
17975893; 15877880
17975893; 16302745
17975893; 16302745; 16898863; 15877880
17975893; 16898863
17975893; 16898863; 15877880
17975893; 23442648; 16898863
17975893; 23442648; 16898863; 15877880
18163563; 15877880; 16898863
18671400
18671400; 15877880
18671400; 16898863
19373603
19373603; 15877880
19373603; 15877880; 16898863
19373603; 16302745; 15877880
19373603; 16898863
19373603; 8789715; 16898863
23442648
8789715
8789715; 15877880
9505801
secoisolariciresinol
MONLZYFGSVIHQC-UHFFFAOYSA-N
FOBI:050035
secoisolariciresinol 9-glucuronide
KEJQZUWQIORRTE-UHFFFAOYSA-N
FOBI:050036
secoisolariciresinol 4-glucuronide
FGMVDFZVCZUDGI-UHFFFAOYSA-N
FOBI:050037
secoisolariciresinol 9-sulfate
UYIGCUYDCWYJAR-UHFFFAOYSA-N
FOBI:050038
secoisolariciresinol 4-sulfate
WMJINTSGOMLXDT-UHFFFAOYSA-N
FOBI:050039
isolariciresinol 9-glucuronide
RVMYIRMLUMZKLQ-UHFFFAOYSA-N
FOBI:050040
isolariciresinol 9'-glucuronide
VWNRXGBNZAPMCJ-UHFFFAOYSA-N
FOBI:050041
isolariciresinol 4'-glucuronide
QNELQQQFSCPAJP-UHFFFAOYSA-N
FOBI:050042
isolariciresinol 9-sulfate
IHFCQBGVSIXPDS-UHFFFAOYSA-N
FOBI:050043
isolariciresinol 9'-sulfate
CKOBBDMKLAJVHB-UHFFFAOYSA-N
FOBI:050044
isolariciresinol 4'-sulfate
BGUMMAWETHOVOG-UHFFFAOYSA-N
FOBI:050045
lariciresinol 9-sulfate
NVHDQFSKGFJRQV-UHFFFAOYSA-N
FOBI:050046
lariciresinol 4-sulfate
CYLGJKHAMHUFLA-UHFFFAOYSA-N
FOBI:050047
lariciresinol 4'-sulfate
HUUUQHZJAPVLRH-UHFFFAOYSA-N
FOBI:050048
pinoresinol glucuronide
ODEQQZORHQBZKE-UHFFFAOYSA-N
FOBI:050049
pinoresinol sulfate
ARWUARNRTRQSHW-UHFFFAOYSA-N
FOBI:050050
syringaresinol glucuronide
ABKGSMJYGPRITK-UHFFFAOYSA-N
FOBI:050051
syringaresinol sulfate
CNEMQJLKVHMVEC-UHFFFAOYSA-N
FOBI:050052
medioresinol 4-sulfate
TXGJJYHARFIBHU-UHFFFAOYSA-N
FOBI:050053
medioresinol 4'-sulfate
HMDB0240370
OYHOCUAXXOWENX-UHFFFAOYSA-N
FOBI:050054
2-hydroxy-N-(2-hydroxyphenyl)acetamide
HMDB0240379
FGIQLOOXJCVVDO-BYNIDDHOSA-N
FOBI:050055
2-hydroxy-N-(2-hydroxyphenyl)acetamide glucuronide
HMDB0240380
DJBPGIGCPUYIGS-UHFFFAOYSA-N
FOBI:050056
2-hydroxy-N-(2-hydroxyphenyl)acetamide sulfate
XKCARXNTRUGKNV-CSHDOIFSSA-N
FOBI:050057
2-hydroxy-7-methoxy-1,4-benzoxazin-3-one glucuronide
LIVXQZBSLFQWSH-UHFFFAOYSA-N
FOBI:050058
2-hydroxy-7-methoxy-1,4-benzoxazin-3-one sulfate
BKFNTANIRVOYGT-UHFFFAOYSA-N
FOBI:050059
2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one glucuronide
BKFNTANIRVOYGT-UHFFFAOYSA-N
FOBI:050060
2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one sulfate
HMDB0038577
C08472
QGUMNWHANDITDB-FPYGCLRLSA-N
FOBI:050061
Avenanthramide A
HMDB0038575
JXFZHMCSCYADIX-XVNBXDOJSA-N
FOBI:050062
Avenanthramide B
HMDB0038576
IDUUXROOZBOOPH-QHHAFSJGSA-N
FOBI:050063
Avenanthramide C
HMDB0033193
FRNDILDQFSAXAR-ZPUQHVIOSA-N
FOBI:050064
Avenanthramide O
UXYPQEDKRALATQ-ZUVMSYQZSA-N
FOBI:050065
Avenanthramide P
ICQWGSPTLPRZPP-ZPUQHVIOSA-N
FOBI:050066
Avenanthramide Q
HMDB0033815
C08887
AAJHVVLGKCKBSH-UHFFFAOYSA-N
FOBI:050067
Avenacoside A
HMDB0033802
C08888
FINVSZXHUNAWLI-UHFFFAOYSA-N
FOBI:050068
Avenacoside B
HMDB0004812
C20450
CHTHALBTIRVDBM-UHFFFAOYSA-N
FOBI:050069
2,5-furandicarboxylic acid
HMDB0040594
INAXVXBDKKUCGI-UHFFFAOYSA-N
FOBI:050070
furaneol
HMDB0032233
ASOSVCXGWPDUGN-UHFFFAOYSA-N
FOBI:050071
2,5-dimethylfuran-3-one
HMDB0240347
NUXSIDPKKIEIMI-LURJTMIESA-N
FOBI:050072
N6-carboxymethyllysine
HMDB0034158
C10787
KLIDCXVFHGNTTM-UHFFFAOYSA-N
FOBI:050073
syringol
HMDB0029680
ZFBNNSOJNZBLLS-UHFFFAOYSA-N
FOBI:050074
4-methylsyringol
HMDB0041194
FWMPKHMKIJDEMJ-UHFFFAOYSA-N
FOBI:050075
4-allylsyringol
HMDB0030483
C02161
RDJXPXHQENRCNG-UHFFFAOYSA-N
FOBI:050076
2-amino-3H-phenoxazin-3-one
DDHPPCVMQOXUFB-UHFFFAOYSA-N
FOBI:050077
2-amino-7-methoxy-3H-phenoxazin-3-one
HMDB0240369
DWOBTNSFRDZSMA-UHFFFAOYSA-N
FOBI:050078
2-acetylamino-3H-phenoxazin-3-one
DOTQQODPKREUTR-UHFFFAOYSA-N
FOBI:050079
2-acetylamino-7-methoxy-3H-phenoxazin-3-one
HMDB0061115
C09213
AOHCBEAZXHZMOR-ZDUSSCGKSA-N
FOBI:050080
hypaphorine
CDLVFVFTRQPQFU-UHFFFAOYSA-N
FOBI:050081
aminovaleric acid betaine
HMDB0042012
C09642
IBRKLUSXDYATLG-LURJTMIESA-N
FOBI:050082
salsolinol
MQMJQDWEMNNNLR-UHFFFAOYSA-N
FOBI:050083
salsolinol 7-sulfate
DFPNWHGWIXZYTR-UHFFFAOYSA-N
FOBI:050084
salsolinol 6-sulfate
FOBI:050085
Furans
FOBI:050086
Furoic acid and derivatives
FOBI:050087
Furoic acids
FOBI:050088
Tetrahydroisoquinolines
FOBI:050089
Aryltetralin lignans
FOBI:050090
L-alpha-amino acids
FOBI:050091
7,9'-epoxylignans
FOBI:050092
Benzoic acids
FOBI:050093
Acylaminobenzoic acid and derivatives
FOBI:050094
Phenoxazines
FOBI:050095
Straight chain fatty acids
FOBI:050096
Lignan glycosides
FOBI:050097
Avenanthramides
FOBI:050202
3-prenylated chalcones
FOBI:050203
6-prenylated flavans
FOBI:050204
6-prenylated flavanones
FOBI:050205
Styrenes
FOBI:050206
Flavonoid-7-O-glycosides
FOBI:050207
Cinnamyl alcohols
FOBI:050208
Hydroxycoumarins
FOBI:050209
6,7-dihydroxycoumarins
FOBI:050210
7-hydroxycoumarins
FOBI:050211
Indanes
FOBI:050212
8-O-methylated flavonoids
FOBI:050213
9,9p-dihydroxyaryltetralin lignans
FOBI:050214
Benzopyrans
FOBI:050215
2-benzopyrans
FOBI:050216
Hydroxyflavonoids
FOBI:050217
7-hydroxyflavonoids
FOBI:050218
7-O-methylated flavonoids
FOBI:050219
5-methoxypsoralens
FOBI:050220
Anisoles
FOBI:050221
Coumestans
FOBI:050222
Benzodioxoles
FOBI:050223
6-O-methylated flavonoids
FOBI:050224
Terpene lactones
FOBI:050225
Diterpene lactones
FOBI:050226
Flavanonols
FOBI:050227
Monoterpenoids
FOBI:050228
Aromatic monoterpenoids
FOBI:050229
Lignan lactones
FOBI:050230
2'-Hydroxychalcones
FOBI:050231
8-methoxypsoralens
555077
HMDB0037479
639665
ORXQGKIUCDPEAJ-YRNVUSSQSA-N
InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+
FOBI:050232
10070768
xanthohumol
2759246
HMDB0037247
C09832
155094
YHWNASRGLKJRJJ-KRWDZBQOSA-N
InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9,17,21-22,24H,8,10H2,1-2H3
FOBI:050233
10070768
10070768; 15712520
6-prenylnaringenin
421848
C18023
509245
LPEPZZAVFJPLNZ-SFHVURJKSA-N
InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1
FOBI:050234
10070768
10070768; 15712520
8-prenylnaringenin
14112879
HMDB0013744
C17883
332
YOMSJEATGXXYPX-UHFFFAOYSA-N
InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3
FOBI:050235
17109870
4-vinylguaiacol
16200549
HMDB0040175
62465
CHWNEIVBYREQRF-UHFFFAOYSA-N
InChI=1S/C9H12O2/c1-3-7-4-5-8(10)9(6-7)11-2/h4-6,10H,3H2,1-2H3
FOBI:050236
17109870
4-ethylguaiacol
15287379
C02923
340
PGSWEKYNAOWQDF-UHFFFAOYSA-N
InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3
FOBI:050237
16881674
3-methylcatechol
15578444
HMDB0040174
70761
HFLGBNBLMBSXEM-UHFFFAOYSA-N
InChI=1S/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3
FOBI:050238
16881674
4-ethylcatechol
10752392
HMDB0004072
C05627
62453
FUGYGGDSWSUORM-UHFFFAOYSA-N
InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2
FOBI:050239
17109870
4-vinylphenol
65231
HMDB0038361
C12136
72277
XMOCLSLCDHWDHP-IUODEOHRSA-N
InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1
FOBI:050240
10457459; 11087482; 8717094; 11804530; 20109129; 15602765; 19266552
10820089
10820089; 11087482
10820089; 11087482; 22327611
10820090
10820090; 11087482
10820090; 11087482; 8717094; 11804530; 20109129; 15602765; 19266552
11087482
15182391
22327611
8717094
(-)-epigallocatechin
388383
HMDB0002670
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:050241
10812937
11312761
15713039
16013828
19397716
22344920
24812440
9550103
9550103; 11312761
naringenin
390868
HMDB0002927
C09789
442428
DFPMSGMNTNDNHN-ZPHOTFPESA-N
InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
FOBI:050242
10905727; 8491829; 15315361
16013828
9561761
9561761; 10727812
9561761; 10812937; 10727812; 8486744; 15315361
naringin
4444991
HMDB0002755
C10107
5281672
IKMDFBPHZNJCSN-UHFFFAOYSA-N
InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
FOBI:050243
10554248; 10691619; 11032478; 9550103; 11312761
10554248; 10691619; 11330794; 11605763; 16013828
10794622
10794622; 11032486
10794622; 9550103; 11032486
10794622; 9550103; 11032486; 16910719
11032478
11312761
11330794; 16013828
11513636
11929309
11929309; 15137871; 10794622
12033817
12207471; 9550103; 11312761
12848490
15137871
16013828
17447783; 9550103
22088277
22088277; 9550103
22327611
25591122
25591122; 9550103
9550103
9550103; 11312761
myricetin
10254753
HMDB0137904
C20414
54682930
PTNLHDGQWUGONS-OWOJBTEDSA-N
InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H
FOBI:050244
16013828
4-hydroxycoumarin
4444764
HMDB0030819
C09263
5281416
ILEDWLMCKZNDJK-UHFFFAOYSA-N
InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H
FOBI:050245
16013828
esculetin
4444765
HMDB0030820
C09264
5281417
XHCADAYNFIFUHF-TVKJYDDYSA-N
InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1
FOBI:050246
16013828
esculin
4444113
HMDB0034344
C01752
5280460
RODXRVNMMDRFIK-UHFFFAOYSA-N
InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3
FOBI:050247
16013828
scopoletin
13586477
HMDB0029865
C09315
5281426
ORHBXUUXSCNDEV-UHFFFAOYSA-N
InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
FOBI:050248
16013828
umbelliferone
HMDB0004284
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:050249
10552399; 12650585; 10820069
11087455; 25655098; 16608197; 25476327; 16190670; 16819902; 24945796; 17002434; 24424402; 19166732; 21241992
12537439; 16608222; 15713026; 10908812; 16968073; 23411296; 17031999; 16167367
12617582
12650585; 10820069
12744665
24334093
25655098; 10908812; 16819902
tyrosol
4444110
C01745
100754
YCVPRTHEGLPYPB-VOTSOKGWSA-N
InChI=1S/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+
FOBI:050250
16013828
pinosylvin
4444167
HMDB0141782
C02666
9984
DKZBBWMURDFHNE-NSCUHMNNSA-N
InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+
FOBI:050251
ferulaldehyde
4444359
C05610
5280802
CDICDSOGTRCHMG-ONEGZZNKSA-N
InChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3
FOBI:050252
sinapaldehyde
4445008
HMDB0133823
C10176
5281691
JGUZGNYPMHHYRK-UHFFFAOYSA-N
InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3
FOBI:050253
11312761
rhamnetin
425065
484757
YNVJOQCPHWKWSO-ZBVBGGFBSA-N
InChI=1S/C28H22O6/c29-15-5-1-13(2-6-15)23-25-19(9-17(31)11-21(25)33)28-24(14-3-7-16(30)8-4-14)26-20(27(23)28)10-18(32)12-22(26)34/h1-12,23-24,27-34H/t23-,24-,27+,28+/m1/s1
FOBI:050254
11902955
pallidol
134356
HMDB0004215
C05901
4813
CDRPUGZCRXZLFL-OWOJBTEDSA-N
InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
FOBI:050255
15998130
piceatannol
4445042
HMDB0130987
C10287
5281727
VLEUZFDZJKSGMX-ONEGZZNKSA-N
InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+
FOBI:050256
pterostilbene
389606
HMDB0005810
C05631
440735
SBHXYTNGIZCORC-ZDUSSCGKSA-N
InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1
FOBI:050257
11312761
15713039
19397716
22344920
24812440
eriodictyol
61389
HMDB0030539
C10190
68077
ULSUXBXHSYSGDT-UHFFFAOYSA-N
InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3
FOBI:050258
11087509
11312761
14640582
9561761
9561761; 10727812
tangeretin
4444935
HMDB0029521
C10044
5281616
VCCRNZQBSJXYJD-UHFFFAOYSA-N
InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H
FOBI:050259
10905727
11312761
24812440
galangin
58506
HMDB0030087
C10545
64981
NQWVSMVXKMHKTF-JKSUJKDBSA-N
InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1
FOBI:050260
17261017
arctigenin
141054
160521
OGFXBIXJCWAUCH-KPHUOKFYSA-N
InChI=1S/C20H24O6/c1-25-18-6-11(3-4-16(18)23)20-14-8-17(24)19(26-2)7-12(14)5-13(9-21)15(20)10-22/h3-4,6-8,13,15,20-24H,5,9-10H2,1-2H3/t13-,15-,20-/m0/s1
FOBI:050261
isolariciresinol
294521
C10646
332427
MHXCIKYXNYCMHY-AUSJPIAWSA-N
InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1
FOBI:050262
15877880
15877880; 16898863
16302745
16302745; 15877880
16302745; 16898863; 15877880
16898863
16898863; 15877880
17261017; 15877880
18163563; 15877880; 16898863
23442648
23442648; 16898863
23442648; 16898863; 15877880
lariciresinol
C10891
452855
YFVZKLQNMNKWSB-BTYIYWSLSA-N
InChI=1S/C21H24O7/c1-25-17-7-5-13(9-19(17)27-3)8-15-12-28-20(23)21(15,24)11-14-4-6-16(22)18(10-14)26-2/h4-7,9-10,15,22,24H,8,11-12H2,1-3H3/t15-,21-/m0/s1
FOBI:050263
trachelogenin
136952
HMDB0031035
BLHLKJLSYHEOGY-UHFFFAOYSA-N
InChI=1S/C27H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)24-27(29)23-25/h22-24,28-29H,2-21H2,1H3
FOBI:050264
14582960
16218677
16218677; 24521535
16218677; 24521535; 25644340
16218677; 25644340; 22880887; 24521535
16218677; 25644340; 24521535
16608224
16608224; 24521535
24521535
25644340
25644340; 24521535
5-heneicosylresorcinol
HMDB0038530
BBGNINPPDHJETF-UHFFFAOYSA-N
InChI=1S/C23H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h18-20,24-25H,2-17H2,1H3
FOBI:050265
14582960
16218677
16218677; 24521535; 25644340
16218677; 25644340; 22880887; 24521535
16218677; 25644340; 24521535
16608224
16608224; 24521535
24521535
25644340
25644340; 24521535
5-heptadecylresorcinol
HMDB0030956
PUNOCEUUYUXUGR-UHFFFAOYSA-N
InChI=1S/C25H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h20-22,26-27H,2-19H2,1H3
FOBI:050266
14582960
16218677
16218677; 24521535; 25644340
16218677; 25644340; 22880887; 24521535
16218677; 25644340; 24521535
16608224
16608224; 24521535
24521535
25644340
25644340; 24521535
5-nonadecylresorcinol
136954
HMDB0038485
GDJMJAKVVSGNLA-UHFFFAOYSA-N
InChI=1S/C31H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-26-30(32)28-31(33)27-29/h26-28,32-33H,2-25H2,1H3
FOBI:050267
14582960
16218677
16218677; 24521535; 25644340
16218677; 25644340; 22880887; 24521535
16218677; 25644340; 24521535
16608224
16608224; 24521535
24521535
25644340
25644340; 24521535
5-pentacosylresorcinol
136953
HMDB0038524
OHTBGMREZYLZQD-UHFFFAOYSA-N
InChI=1S/C29H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-24-28(30)26-29(31)25-27/h24-26,30-31H,2-23H2,1H3
FOBI:050268
14582960
16218677
16218677; 24521535; 25644340
16218677; 25644340; 22880887; 24521535
16218677; 25644340; 24521535
16608224
16608224; 24521535
24521535
25644340
25644340; 24521535
5-tricosylresorcinol
69081
HMDB0031009
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:050269
25644340
25644340; 22880887
5-pentadecylresorcinol
294519
332425
VJOBNGRIBLNUKN-ITZZLVQVSA-N
InChI=1S/C21H24O7/c1-24-16-6-11(4-5-15(16)22)20-13-9-28-21(14(13)10-27-20)12-7-17(25-2)19(23)18(8-12)26-3/h4-8,13-14,20-23H,9-10H2,1-3H3/t13-,14-,20+,21?/m0/s1
FOBI:050270
16302745
17261017
18163563
23442648
medioresinol
26529
28516
KWILGNNWGSNMPA-UHFFFAOYSA-N
InChI=1S/C10H10O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h2-4,6,11H,5H2,1H3
FOBI:050271
mellein
10612971
HMDB0000228
C00146
996
ISWSIDIOOBJBQZ-UHFFFAOYSA-N
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
FOBI:050272
phenol
4444989
HMDB0030796
C10105
5281670
YXOLAZRVSSWPPT-UHFFFAOYSA-N
InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
FOBI:050273
16076138
morin
65258
C10882
72307
PEYUIKBAABKQKQ-AFHBHXEDSA-N
InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1
FOBI:050274
16549449
17261017
23442648
25829579
sesamin
61546
HMDB0002708
C05905
128861
VEVZSMAEJFVWIL-UHFFFAOYSA-O
InChI=1S/C15H10O6.ClH/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;/h1-6H,(H4-,16,17,18,19,20);1H
FOBI:050275
14558771; 14690398; 14640564
15453684
cyanidin
60584
HMDB0003263
C05904
67249
XVFMGWDSJLBXDZ-UHFFFAOYSA-O
InChI=1S/C15H10O5.ClH/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15;/h1-7H,(H3-,16,17,18,19);1H
FOBI:050276
pelargonidin
144246
HMDB0005797
C08726
441773
OGBSHLKSHNAPEW-UHFFFAOYSA-N
InChI=1S/C16H12O6.ClH/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16;/h2-7H,1H3,(H3-,17,18,19,20);1H
FOBI:050277
14558771; 14690398; 14640564
peonidin
16498836
HMDB0036634
C01604
4789
IOUVKUPGCMBWBT-QNDFHXLGSA-N
InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
FOBI:050278
10552763; 15137839; 23815505
11513636; 12452634; 15630226; 15479019
11999391
11999391; 23815505
14518966
14518966; 15137839
24812440
phloridzin
389765
HMDB0029943
C06186
346
BJRNKVDFDLYUGJ-RMPHRYRLSA-N
InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1
FOBI:050279
11999391
arbutin
77297
HMDB0029482
16760075
RMCRQBAILCLJGU-UHFFFAOYSA-N
InChI=1S/C28H34O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-29,31-36H,9-10H2,1-2H3
FOBI:050280
11087509
12720386
9561761
9561761; 10727812
didymin
HMDB0003265
C09755
10621
QUQPHWDTPGMPEX-QJBIFVCTSA-N
InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
FOBI:050281
10905727; 8491829; 12720386; 15315361
11087509
12769519
9561761
9561761; 10727812
9561761; 10727812; 8486744; 15315361
hesperidin
77296
HMDB0033740
C09793
442431
HXTFHSYLYXVTHC-AJHDJQPGSA-N
InChI=1S/C27H32O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-7,10,16,18,20-29,31-36H,8-9H2,1H3
FOBI:050282
10905727; 8491829; 12720386; 15315361
11087509
9561761
9561761; 10727812
9561761; 10727812; 8486744; 15315361
narirutin
65283
HMDB0029540
C10112
72344
DFPMSGMNTNDNHN-ZPHOTFPESA-N
InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3
FOBI:050283
11087509
14640582
9561761
9561761; 10727812
nobiletin
128491
HMDB0036633
C10186
145659
LKMNXYDUQXAUCZ-UHFFFAOYSA-N
InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3
FOBI:050284
11087509
14640582
9561761
sinensetin
4444985
HMDB0037441
C10098
25201489
SQFSKOYWJBQGKQ-UHFFFAOYSA-N
InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3
FOBI:050285
10727812
kaempferide
75327
HMDB0005811
C09732
83489
OMQADRGFMLGFJF-MNPJBKLOSA-N
InChI=1S/C27H32O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-6,9,16,18,20-30,32-37H,7-8H2,1H3/t9-,16+,18+,20-,21+,22+,23+,24+,25-,26-,27+/m0/s1
FOBI:050286
10905727; 15315361
12769519
8486744; 15315361
eriocitrin
C09805
114627
OBKKEZLIABHSGY-DOYQYKRZSA-N
InChI=1S/C27H32O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-6,9,16,18,20-31,33-37H,7-8H2,1H3/t9-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
FOBI:050287
10905727
8486744
neoeriocitrin
HMDB0030637
C01557
2355
BGEBZHIAGXMEMV-UHFFFAOYSA-N
InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3
FOBI:050288
10812937
bergapten
HMDB0035589
476785
WXTPOHDTGNYFSB-UHFFFAOYSA-N
InChI=1S/C12H16O8/c13-4-8-9(16)10(17)11(18)12(20-8)19-7-2-5(14)1-6(15)3-7/h1-3,8-18H,4H2
FOBI:050289
11052725
phlorin
4445347
HMDB0038848
C12627
5282150
RPMNUQRUHXIGHK-PYXJVEIZSA-N
InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
FOBI:050290
rhoifolin
4444932
HMDB0029548
C10039
5281613
GZSOSUNBTXMUFQ-YFAPSIMESA-N
InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
FOBI:050291
12769519
diosmin
86762
HMDB0030575
C14472
96118
URSUMOWUGDXZHU-UHFFFAOYSA-N
InChI=1S/C19H18O6/c1-21-12-7-5-11(6-8-12)14-9-13(20)17-15(25-14)10-16(22-2)18(23-3)19(17)24-4/h5-10H,1-4H3
FOBI:050292
tetramethylscutellarein
132996
HMDB0037689
SSXJHQZOHUYEGD-UHFFFAOYSA-N
InChI=1S/C22H24O9/c1-24-12-9-8-11(10-13(12)25-2)16-19(27-4)15(23)14-17(26-3)20(28-5)22(30-7)21(29-6)18(14)31-16/h8-10H,1-7H3
FOBI:050293
11087509
3-methoxynobiletin
4444926
HMDB0036619
C10028
5281607
RTIXKCRFFJGDFG-UHFFFAOYSA-N
InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
FOBI:050294
10905727
chrysin
17304875
HMDB0005795
16129869
BFMMRDUWGRKGNX-UHFFFAOYSA-N
InChI=1S/C48H28O30/c49-10-1-6-17(31(59)27(10)55)19-23-21-22-24(47(70)76-38(21)35(63)33(19)61)20(34(62)36(64)39(22)75-46(23)69)18-9(4-13(52)28(56)32(18)60)43(66)74-37-14(5-72-42(6)65)73-48(71)41-40(37)77-44(67)7-2-11(50)25(53)29(57)15(7)16-8(45(68)78-41)3-12(51)26(54)30(16)58/h1-4,14,37,40-41,48-64,71H,5H2/t14-,37-,40+,41-,48-/m1/s1
FOBI:050295
11052704
punicalagin
553166
HMDB0030837
C10428
637563
RUVINXPYWBROJD-ONEGZZNKSA-N
InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+
FOBI:050296
11052726
16190627
anethole
4572852
HMDB0034843
C10501
5281800
FBSKJMQYURKNSU-ZLSOWSIRSA-N
InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+
FOBI:050297
10552399
verbascoside
HMDB0033991
C10216
107971
KYQZWONCHDNPDP-QNDFHXLGSA-N
InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1
FOBI:050298
10552401
10552401; 10552547
10552547
17386499; 24498818; 19530716; 12607743
19530716; 10552401
24498818
24498818; 10552401
24498818; 10552401; 12607743
24498818; 19530716; 9492334; 10552401
9848519; 19530716; 10552401; 10552547
9848519; 19530716; 10552401; 10552547; 12607743
9848519; 24498818
9848519; 24498818; 10552547; 12607743
9848519; 24498818; 19530716; 9492334; 10552401; 10552547
daidzin
HMDB0029909
5281377
FSCNUJMKSQHQSY-UHFFFAOYSA-N
InChI=1S/C21H30O11/c1-3-4-10-5-6-12(13(7-10)28-2)31-21-19(27)17(25)16(24)14(32-21)9-30-20-18(26)15(23)11(22)8-29-20/h3,5-7,11,14-27H,1,4,8-9H2,2H3
FOBI:050299
10552401
10552401; 10552547
24498818
24498818; 10552401
24498818; 10552401; 12607743
24498818; 19530716; 9492334; 10552401
24835762; 10552547
24835762; 17386499; 24498818; 19530716; 12607743
24835762; 19530716; 10552401
24835762; 9848519; 19530716; 10552401; 10552547
24835762; 9848519; 19530716; 10552401; 10552547; 12607743
24835762; 9848519; 24498818; 19530716; 9492334; 10552401; 10552547
9848519; 24498818
9848519; 24498818; 10552547; 12607743
genistin
4476508
HMDB0005781
C14536
5317750
DXYUAIFZCFRPTH-UHFFFAOYSA-N
InChI=1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
FOBI:050300
10552401; 10552547
10552547
16898863
17386499; 24498818; 19530716
18729461
18729461; 16898863
19166724; 16898863
19530716
24498818
24498818; 19530716; 9492334
9848519; 19530716; 10552547
9848519; 24498818
9848519; 24498818; 10552547
9848519; 24498818; 19530716; 9492334; 10552401; 10552547
glycitein
10176999
HMDB0002219
C16195
187808
OZBAVEKZGSOMOJ-MIUGBVLSSA-N
InChI=1S/C22H22O10/c1-29-15-6-12-14(30-9-13(18(12)25)10-2-4-11(24)5-3-10)7-16(15)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1
FOBI:050301
10552401
10552401; 10552547
10552547
17386499; 24498818; 19530716
19530716; 10552401
24498818
24498818; 10552401
24498818; 19530716; 9492334; 10552401
9848519; 19530716; 10552401; 10552547
9848519; 24498818
9848519; 24498818; 10552547
9848519; 24498818; 19530716; 9492334; 10552401; 10552547
glycitin
4445024
HMDB0002326
C10205
5281707
ZZIALNLLNHEQPJ-UHFFFAOYSA-N
InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H
FOBI:050302
16898863
8789715
coumestrol
3682955
HMDB0033280
C10544
442831
NATDFORNCKZPCI-FPHUIIFBSA-N
InChI=1S/C22H24O8/c1-12(23)30-22-11-29-20(13-4-6-16(24)18(8-13)26-2)15(22)10-28-21(22)14-5-7-17(25)19(9-14)27-3/h4-9,15,20-21,24-25H,10-11H2,1-3H3
FOBI:050303
11087455; 25655098; 16608197; 16819902; 24945796
12537439; 17031999; 16167367
25655098; 16819902
1-acetoxypinoresinol
8567505
HMDB0034751
GMQXOLRKJQWPNB-FAWHCFPASA-N
InChI=1S/C25H32O12/c1-3-15-16(10-19(28)34-9-8-13-4-6-14(27)7-5-13)17(23(32)33-2)12-35-24(15)37-25-22(31)21(30)20(29)18(11-26)36-25/h3-7,12,16,18,20-22,24-27,29-31H,8-11H2,1-2H3/b15-3+/t16-,18+,20+,21-,22+,24-,25-/m0/s1
FOBI:050304
ligstroside
HMDB0036121
HKVGJQVJNQRJPO-OIXVIMQBSA-N
InChI=1S/C24H30O13/c1-2-12-13(8-18(28)34-6-5-11-3-4-15(26)16(27)7-11)14(22(32)33)10-35-23(12)37-24-21(31)20(30)19(29)17(9-25)36-24/h2-4,7,10,13,17,19-21,23-27,29-31H,5-6,8-9H2,1H3,(H,32,33)/b12-2-
FOBI:050305
10552399; 10820069
10820069
demethyloleuropein
80576
HMDB0029379
C00933
89287
HUJXHFRXWWGYQH-UHFFFAOYSA-O
InChI=1S/C16H23NO5/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5/h6-7,10-11H,8-9H2,1-5H3/p+1
FOBI:050306
sinapine
7975265
HMDB0038932
94672
KQRXQIPRDKVZPW-UHFFFAOYSA-N
InChI=1S/C20H18O7/c21-14-5-18-17(26-9-27-18)4-11(14)20-13-7-22-19(12(13)6-23-20)10-1-2-15-16(3-10)25-8-24-15/h1-5,12-13,19-21H,6-9H2
FOBI:050307
16549449
25829579
sesaminol
10778676
HMDB0033812
C10832
68289
LUSZGTFNYDARNI-UHFFFAOYSA-N
InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2
FOBI:050308
sesamol
91932
HMDB0034119
101746
ZZMNWJVJUKMZJY-AFHBHXEDSA-N
InChI=1S/C20H18O7/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)27-12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1
FOBI:050309
16549449
25829579
sesamolin
509377
HMDB0034119
C10883
443019
OJVGWDJIYBTWDS-AFHBHXEDSA-N
InChI=1S/C20H18O7/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)27-12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2
FOBI:050310
25829579
sesamolinol
91811
72307
PEYUIKBAABKQKQ-WZBLMQSHSA-N
InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19-,20+/m0/s1
FOBI:050311
episesamin
C17785
188323
ZIIAJIWLQUVGHB-UHFFFAOYSA-N
InChI=1S/C17H14O6/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3
FOBI:050312
10552853
24812440
cirsimaritin
4444947
HMDB0128581
C10058
5281628
IHFBPDAQLQOCBX-UHFFFAOYSA-N
InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3
FOBI:050313
10552853
24812440
hispidulin
10263992
455261
LCAZOMIGFDQMNC-FORWCCJISA-N
InChI=1S/C20H26O5/c1-9(2)10-8-11-12(15(23)13(10)21)20-7-5-6-19(3,4)17(20)16(14(11)22)25-18(20)24/h8-9,14,16-17,21-23H,5-7H2,1-4H3/t14-,16+,17-,20-/m0/s1
FOBI:050314
rosmanol
C10032
162464
VKOSQMWSWLZQPA-UHFFFAOYSA-N
InChI=1S/C18H16O7/c1-22-13-6-9(4-5-10(13)19)12-7-11(20)16-14(25-12)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3
FOBI:050315
10552853
cirsilineol
87743
97214
KLAOKWJLUQKWIF-UHFFFAOYSA-N
InChI=1S/C18H16O7/c1-22-12-5-4-9(6-10(12)19)13-7-11(20)16-14(25-13)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3
FOBI:050316
10552853
eupatorin
4527765
5379096
GLAAQZFBFGEBPS-UHFFFAOYSA-N
InChI=1S/C17H14O7/c1-22-13-5-8(3-4-9(13)18)12-6-10(19)15-14(24-12)7-11(20)17(23-2)16(15)21/h3-7,18,20-21H,1-2H3
FOBI:050317
10552853
jaceosidin
388626
C01617
10185
CXQWRCVTCMQVQX-LSDHHAIUSA-N
InChI=1S/C15H12O7/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/h1-5,14-19,21H/t14-,15+/m0/s1
FOBI:050318
24812440
dihydroquercetin
61384
HMDB0141337
C09827
68071
URFCJEUYXNAHFI-ZDUSSCGKSA-N
InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1
FOBI:050319
24812440
pinocembrin
66249
HMDB0030090
C09833
348130
DJOJDHGQRNZXQQ-AWEZNQCLSA-N
InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
FOBI:050320
24812440
sakuranetin
4444961
HMDB0036632
C10072
5281642
VYAKIUWQLHRZGK-UHFFFAOYSA-N
InChI=1S/C15H10O7/c16-7-2-1-6(3-8(7)17)11-4-9(18)13-12(22-11)5-10(19)14(20)15(13)21/h1-5,16-17,19-21H
FOBI:050321
24812440
6-hydroxyluteolin
4445014
HMDB0128587
C10184
5281697
JVXZRQGOGOXCEC-UHFFFAOYSA-N
InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H
FOBI:050322
24812440
scutellarein
13850247
HMDB0034121
C10452
8815
ZFMSMUAANRJZFM-UHFFFAOYSA-N
InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3
FOBI:050323
16190627
estragole
13876103
HMDB0005809
C10453
3314
RRAFCDWBNXTKKO-UHFFFAOYSA-N
InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
FOBI:050324
16190627
eugenol
390568
HMDB0002121
C09069
2579
XUSYGBPHQBWGAD-PJSUUKDQSA-N
InChI=1S/C20H26O4/c1-10(2)11-8-12-13-9-14-19(3,4)6-5-7-20(14,18(23)24-13)15(12)17(22)16(11)21/h8,10,13-14,21-22H,5-7,9H2,1-4H3/t13-,14-,20+/m0/s1
FOBI:050325
16190627
carnosol
HMDB0035770
C09840
10364
RECUKUPTGUEGMW-UHFFFAOYSA-N
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
FOBI:050326
16190627
carvacrol
8060286
HMDB0035812
LCAZOMIGFDQMNC-UHFFFAOYSA-N
InChI=1S/C20H26O5/c1-9(2)10-8-11-12(15(23)13(10)21)20-7-5-6-19(3,4)17(20)16(14(11)22)25-18(20)24/h8-9,14,16-17,21-23H,5-7H2,1-4H3
FOBI:050327
16190627
epirosmanol
13911371
HMDB0001878
C09908
6989
MGSRCZKZVOBKFT-UHFFFAOYSA-N
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
FOBI:050328
16190627
thymol
4444924
HMDB0134890
C10023
5281605
FXNFHKRTJBSTCS-UHFFFAOYSA-N
InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
FOBI:050329
baicalein
11251075
HMDB0001218
C05851
323
ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
FOBI:050330
15796573
coumarin
839564
HMDB0002269
C10443
969516
ZIUSSTSXXLLKKK-KOBPDPAPSA-N
InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
FOBI:050331
25324941
curcumin
9947895
BTXZSJTULWTSJG-BIENJYKASA-N
InChI=1S/C20H22O7/c1-25-17-8-11(3-5-15(17)22)7-13-14(10-21)19(27-20(13)24)12-4-6-16(23)18(9-12)26-2/h3-6,8-9,13-14,19,21-23H,7,10H2,1-2H3/t13-,14+,19-/m1/s1
FOBI:050332
17261017
isohydroxymatairesinol
8026894
HMDB0037349
17751020
FKIYLTVJPDLUDL-UHFFFAOYSA-N
InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1
FOBI:050333
10552399
isorhoifolin
4444634
C08578
5281222
AYMYWHCQALZEGT-ORCRQEGFSA-N
InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
FOBI:050334
butein
4444937
HMDB0133330
C10047
5281618
OUMMPAFEQHTYIZ-UHFFFAOYSA-N
InChI=1S/C16H12O5/c1-20-16-6-9(2-5-12(16)18)14-8-13(19)11-4-3-10(17)7-15(11)21-14/h2-8,17-18H,1H3
FOBI:050335
geraldone
61391
HMDB0034312
C02162
68079
DFMAXQKDIGCMTL-UHFFFAOYSA-N
InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3
FOBI:050336
isopimpinellin
HMDB0034272
C09305
6199
ZCCUUQDIBDJBTK-UHFFFAOYSA-N
InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
FOBI:050337
psoralen
HMDB0014693
C01864
4114
QXKHYNVANLEOEG-UHFFFAOYSA-N
InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
FOBI:050338
xanthotoxin