PhytoHub: Showing entry for Strawberry

Strawberry

Group:: Fruit, Berries

Identification

Name: Strawberry
Food group: Fruit, Berries

External Links

ITIS: 24630
FooDB (Foods): 83

Compounds

Name	Structure	Monoisotopic mass	Formula	Family	Class
Campesterol	CC(C)[C@H](C)CC[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C	400.370516158	C₂₈H₄₈O	Terpenoids	Phytosterols	Publications	Show
Sitosterol-beta	CC[C@H](CC[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C	414.38616623	C₂₉H₅₀O	Terpenoids	Phytosterols	Publications	Show
Piceid (cis-)	[H]\C(=C(/[H])C1=CC(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)=CC(O)=C1)C1=CC=C(O)C=C1	390.131467668	C₂₀H₂₂O₈	Polyphenols	Stilbenes	Publications	Show
Piceid (trans-)	OC[C@H]1O[C@@H](OC2=CC(O)=CC(\C=C\C3=CC=C(O)C=C3)=C2)[C@H](O)[C@@H](O)[C@@H]1O	390.131467668	C₂₀H₂₂O₈	Polyphenols	Stilbenes	Publications	Show
(+)-Pinoresinol	[H][C@@]12CO[C@@H](C3=CC=C(O)C(OC)=C3)[C@]1([H])CO[C@H]2C1=CC(OC)=C(O)C=C1	358.141638428	C₂₀H₂₂O₆	Polyphenols	Lignans	Publications	Show
(+)-Lariciresinol	COC1=C(O)C=CC(C[C@H]2CO[C@@H]([C@H]2CO)C2=CC(OC)=C(O)C=C2)=C1	360.1572885	C₂₀H₂₄O₆	Polyphenols	Lignans	Publications	Show
Ellagic acid	OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2	302.006267153	C₁₄H₆O₈	Polyphenols	Phenolic acids	Publications	Show
Ferulic acid	COC1=C(O)C=CC(\C=C\C(O)=O)=C1	194.057908808	C₁₀H₁₀O₄	Polyphenols	Phenolic acids	Publications	Show
Caffeic acid	OC(=O)\C=C\C1=CC(O)=C(O)C=C1	180.042258744	C₉H₈O₄	Polyphenols	Phenolic acids	Publications	Show
Vanillic acid	COC1=C(O)C=CC(=C1)C(O)=O	168.042258738	C₈H₈O₄	Polyphenols	Phenolic acids	Publications	Show
Melatonin	COC1=CC=C2NC=C(CCNC(C)=O)C2=C1	232.121177766	C₁₃H₁₆N₂O₂	Miscellaneous phytochemicals	Not Available	Publications	Show
Pelargonidin 3-O-glucoside	OC[C@@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)[C@@H](O)[C@H](O)[C@H]1O	433.113471892	C₂₁H₂₁O₁₀	Polyphenols	Flavonoids	Publications	Show
Pelargonidin 3-O-(6''-succinyl-glucoside)	[H][C@]1(COC(=O)CCC(O)=O)O[C@@]([H])(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O	533.129515886	C₂₅H₂₅O₁₃	Polyphenols	Flavonoids	Publications	Show
4-Hydroxybenzoic acid	OC(=O)C1=CC=C(O)C=C1	138.031694053	C₇H₆O₃	Polyphenols	Phenolic acids	Publications	Show
(+)-Catechin	O[C@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C=C1)C=C(O)C=C2O	290.07903818	C₁₅H₁₄O₆	Polyphenols	Flavonoids	Publications	Show
Pelargonidin 3-O-(6''-malonyl-glucoside)	O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)[C@H](O)[C@H]1O	519.113865822	C₂₄H₂₃O₁₃	Polyphenols	Flavonoids	Publications	Show
Pelargonidin	OC1=CC=C(C=C1)C1=[O+]C2=C(C=C1O)C(O)=CC(O)=C2	271.060648462	C₁₅H₁₁O₅	Polyphenols	Flavonoids	Publications	Show
Myricetin	OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C(O)=C2)=C1	318.037567296	C₁₅H₁₀O₈	Polyphenols	Flavonoids	Publications	Show
Cyanidin 3-O-glucoside	OC[C@@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C=C2)[C@@H](O)[C@H](O)[C@H]1O	449.107837916	C₂₁H₂₁O₁₁	Polyphenols	Flavonoids	Publications	Show
Ellagic acid glucoside	OC[C@H]1O[C@@H](OC2=CC3=C4C(OC(=O)C5=CC(O)=C(O)C(OC3=O)=C45)=C2O)[C@H](O)[C@@H](O)[C@H]1O	464.059090575	C₂₀H₁₆O₁₃	Polyphenols	Phenolic acids	Publications	Show
4-Hydroxybenzoic acid 4-O-glucoside	OCC1OC(OC2=CC=C(C=C2)C(O)=O)C(O)C(O)C1O	300.084517475	C₁₃H₁₆O₈	Polyphenols	Phenolic acids	Publications	Show
Pelargonidin 3-O-rutinoside	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	579.1713807	C₂₇H₃₁O₁₄	Polyphenols	Flavonoids	Publications	Show
Coumaroyl glucose (p-)	OC[C@@H]1O[C@H](OC(=O)\C=C\C2=CC=C(O)C=C2)[C@@H](O)[C@H](O)[C@H]1O	326.10016754	C₁₅H₁₈O₈	Polyphenols	Phenolic acids	Publications	Show
Cinnamic acid	OC(=O)\C=C\C1=CC=CC=C1	148.0524295	C₉H₈O₂	Polyphenols	Phenolic acids	Publications	Show
2,6-Dihydroxybenzoic acid	OC(=O)C1=C(O)C=CC=C1O	154.026608673	C₇H₆O₄	Polyphenols	Phenolic acids	Publications	Show
Catechol	OC1=CC=CC=C1O	110.036779436	C₆H₆O₂	Polyphenols	Polyphenol metabolites	Publications	Show
Coumaric acid (p-)	OC(=O)\C=C\C1=CC=C(O)C=C1	164.047344122	C₉H₈O₃	Polyphenols	Phenolic acids	Publications	Show
5-O-Caffeoylquinic acid	OC1CC(O)(CC(OC(=O)\C=C\C2=CC=C(O)C(O)=C2)C1O)C(O)=O	354.095082174	C₁₆H₁₈O₉	Polyphenols	Phenolic acids	Publications	Show
Phloridzin	OC[C@H]1O[C@@H](OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	436.136946988	C₂₁H₂₄O₁₀	Polyphenols	Flavonoids	Publications	Show
Trilobatin	O[C@H]1O[C@@H](OC2=CC(O)=C(C(=O)CCC3=CC=C(O)C=C3)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O	422.121296908	C₂₀H₂₂O₁₀	Polyphenols	Flavonoids	Publications	Show
Luteolin	OC1=CC2=C(C(O)=C1)C(=O)C=C(O2)C1=CC=C(O)C(O)=C1	286.047738052	C₁₅H₁₀O₆	Polyphenols	Flavonoids	Publications	Show
(-)-Epicatechin	O[C@@H]1CC2=C(OC1C1=CC(O)=C(O)C=C1)C=C(O)C=C2O	290.079038171	C₁₅H₁₄O₆	Polyphenols	Flavonoids	Publications	Show
Procyanidin dimer B1	O[C@H]1CC2=C(O)C=C(O)C([C@@H]3[C@@H](O)[C@H](OC4=CC(O)=CC(O)=C34)C3=CC=C(O)C(O)=C3)=C2O[C@@H]1C1=CC=C(O)C(O)=C1	578.142426277	C₃₀H₂₆O₁₂	Polyphenols	Flavonoids	Publications	Show
Procyanidin dimer B3	[H][C@@]1([C@H](O)[C@H](OC2=CC(O)=CC(O)=C12)C1=CC(O)=C(O)C=C1)C1=C(O)C=C(O)C2=C1O[C@@H]([C@@H](O)C2)C1=CC(O)=C(O)C=C1	578.142426277	C₃₀H₂₆O₁₂	Polyphenols	Flavonoids	Publications	Show
Taxifolin	O[C@@H]1[C@H](OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC=C(O)C(O)=C1	304.058302738	C₁₅H₁₂O₇	Polyphenols	Flavonoids	Publications	Show
Astragalin	OC[C@H]1O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	448.100561482	C₂₁H₂₀O₁₁	Polyphenols	Flavonoids	Publications	Show
Isorhamnetin 3-O-glucoside	COC1=C(O)C=CC(=C1)C1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)C2=C(O)C=C(O)C=C2O1	478.111126168	C₂₂H₂₂O₁₂	Polyphenols	Flavonoids	Publications	Show
Kaempferol 3-O-rutinoside	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=C(C(O)=CC(O)=C4)C3=O)C3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	594.15847029	C₂₇H₃₀O₁₅	Polyphenols	Flavonoids	Publications	Show
Quercetin 3-O-glucuronide	OC1C(O)C(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)OC(C1O)C(O)=O	478.074740662	C₂₁H₁₈O₁₃	Polyphenols	Flavonoids	Publications	Show
Kaempferol 3-O-glucuronide	OC1C(O)C(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)OC(C1O)C(O)=O	462.07982604	C₂₁H₁₈O₁₂	Polyphenols	Flavonoids	Publications	Show
Cyanidin 3-O-galactoside	OC[C@@H]1O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C=C2)[C@@H](O)[C@H](O)[C@@H]1O	449.107837916	C₂₁H₂₁O₁₁	Polyphenols	Flavonoids	Publications	Show
Cyanidin 3-O-sambubioside	OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C=C2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	581.150096654	C₂₆H₂₉O₁₅	Polyphenols	Flavonoids	Publications	Show
Cyanidin 3-O-rutinoside	CC1O[C@H](OCC2O[C@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C(O)=C3)C(O)C(O)[C@H]2O)C(O)[C@H](O)[C@@H]1O	595.165746718	C₂₇H₃₁O₁₅	Polyphenols	Flavonoids	Publications	Show
Peonidin 3-O-galactoside	[H][C@]1(CO)O[C@@]([H])(OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(OC)=C(O)C=C2)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O	463.124036578	C₂₂H₂₃O₁₁	Polyphenols	Flavonoids	Publications	Show
Casuarictin	OC1=CC(=CC(O)=C1O)C(=O)OC1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC2C2OC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC12	936.086881068	C₄₁H₂₈O₂₆	Polyphenols	Ellagitannins	Publications	Show
Sanguiin H-6	OC1=CC(=CC(O)=C1O)C(=O)OC1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(C(OC4=CC(=CC(O)=C4O)C(=O)OC4OC5COC(=O)C6=C(C(O)=C(O)C(O)=C6)C6=C(C=C(O)C(O)=C6O)C(=O)OC5C5OC(=O)C6=CC(O)=C(O)C(O)=C6C6=C(O)C(O)=C(O)C=C6C(=O)OC45)=C(O)C(O)=C3O)C(=O)OC2C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC12	1870.158112072	C₈₂H₅₄O₅₂	Polyphenols	Ellagitannins	Publications	Show
agrimoniin	OC1=CC(=CC(OC2=C(O)C(O)=C(O)C=C2C(=O)O[C@H]2O[C@@H]3COC(=O)C4=C(C(O)=C(O)C(O)=C4)C4=C(O)C(O)=C(O)C=C4C(=O)O[C@H]3[C@@H]3OC(=O)C4=CC(O)=C(O)C(O)=C4C4=C(C=C(O)C(O)=C4O)C(=O)O[C@@H]23)=C1O)C(=O)O[C@H]1O[C@@H]2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(C=C(O)C(O)=C3O)C(=O)O[C@H]2[C@@H]2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)O[C@@H]12	1870.158111979	C₈₂H₅₄O₅₂	Polyphenols	Ellagitannins	Publications	Show
Tryptamine	NCCC1=CNC2=CC=CC=C12	160.100048394	C₁₀H₁₂N₂	N-containing compounds	Amines	Publications	Show
Tyramine	NCCC1=CC=C(O)C=C1	137.084063979	C₈H₁₁NO	N-containing compounds	Amines	Publications	Show
Tryptophan	NC(CC1=CNC2=C1C=CC=C2)C(O)=O	204.089877638	C₁₁H₁₂N₂O₂	N-containing compounds	Amino acids	Publications	Show

Related Metabolites

Name	Structure	Monoisotopic mass	Formula	Family	Class
(-)-Epicatechin 3'-O-glucuronide	O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(OC3OC(C(O)C(O)C3O)C(O)=O)=C1)C=C(O)C=C2O	466.111126148	C₂₁H₂₂O₁₂	Polyphenols	Polyphenol metabolites	Show
(-)-Epicatechin 3'-O-sulfate	O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(OS(O)(=O)=O)=C(O)C=C1	370.035853205	C₁₅H₁₄O₉S	Polyphenols	Polyphenol metabolites	Show
(-)-Epicatechin 4'-O-glucuronide	O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(OC3C(O)OC(C(O)C3O)C(O)=O)C=C1)C=C(O)C=C2O	466.111126148	C₂₁H₂₂O₁₂	Polyphenols	Flavonoids	Show
(-)-Epicatechin 4'-O-sulfate	O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(OS(O)(=O)=O)C(O)=C1	370.035853205	C₁₅H₁₄O₉S	Polyphenols	Polyphenol metabolites	Show
(-)-Epicatechin 5-O-sulfate	O[C@@H]1CC2=C(OS(O)(=O)=O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O)=C1	370.035853205	C₁₅H₁₄O₉S	Polyphenols	Flavonoids	Show
(-)-Epicatechin 7-O-glucuronide	O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C=C1)C=C(OC1C(O)OC(C(O)C1O)C(O)=O)C=C2O	466.111126148	C₂₁H₂₂O₁₂	Polyphenols	Polyphenol metabolites	Show
(-)-Epicatechin glucuronide		466.3989068	C₂₁H₂₂O₁₂	Polyphenols	Flavonoids	Show
(-)-Epicatechin sulfoglucuronide		546.4612115	C₂₁H₂₂O₁₅S	Polyphenols	Flavonoids	Show
(-)-Epicatechin-5-O-glucuronide	O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(O)=C1)C=C(O)C=C2OC1OC(C(O)C(O)C1O)C(O)=O	466.111126148	C₂₁H₂₂O₁₂	Polyphenols	Polyphenol metabolites	Show
(-)-Epicatechin-7-O-glucuronide	O[C@@H]1CC2=C(O[C@@H]1C1=CC=C(O)C(O)=C1)C=C(OC1OC(C(O)C(O)C1O)C(O)=O)C=C2O	466.111126148	C₂₁H₂₂O₁₂	Polyphenols	Polyphenol metabolites	Show
(Epi)catechin O-glucuronide		466.3989068	C₂₁H₂₂O₁₂	Polyphenols	Flavonoids	Show
(Epi)catechin O-sulfate		370.335352	C₁₅H₁₄O₉S	Polyphenols	Flavonoids	Show
1-(3',4'-Dihydroxyphenyl)-3-(2'',4'',6''-trihydroxyphenyl)propan-2-ol	OC(CC1=CC(O)=C(O)C=C1)CC1=C(O)C=C(O)C=C1O	292.094688235	C₁₅H₁₆O₆	Polyphenols	Flavonoids	Show
1-(Hydroxyphenyl)-3-(2'',4'',6''-trihydroxyphenyl)propan-2-ol		276.2896941	C₁₅H₁₆O₅	Polyphenols	Flavonoids	Show
2-Hydroxy-4-methoxybenzoic acid	COC1=CC(O)=C(C=C1)C(O)=O	168.042258744	C₈H₈O₄	Polyphenols	Flavonoids	Show
3-(1-Carboxy-4-hydroxyphenyl)beta-D-glucuronic acid	O[C@@H]1[C@@H](O)[C@@H](OC2=C(O)C=CC(=C2)C(O)=O)OC([C@H]1O)C(O)=O	330.058696651	C₁₃H₁₄O₁₀	Polyphenols	Flavonoids	Show
3-(1-Carboxy-4-hydroxyphenyl)beta-D-glucuronic acid	O[C@@H]1[C@@H](O)[C@@H](OC2=C(O)C=CC(=C2)C(O)=O)OC([C@H]1O)C(O)=O	330.058696651	C₁₃H₁₄O₁₀	Polyphenols	Flavonoids	Show
3-(1-Carboxy-4-hydroxyphenyl)beta-D-glucuronic acid	O[C@@H]1[C@@H](O)[C@@H](OC2=C(O)C=CC(=C2)C(O)=O)OC([C@H]1O)C(O)=O	330.058696651	C₁₃H₁₄O₁₀	Polyphenols	Flavonoids	Show
3-(3'-Hydroxyphenyl)propionic acid	OC(=O)CCC1=CC=CC(O)=C1	166.062994186	C₉H₁₀O₃	Polyphenols	Phenolic acids	Show
3-(3'-Hydroxyphenyl)propionic acid	OC(=O)CCC1=CC=CC(O)=C1	166.062994186	C₉H₁₀O₃	Polyphenols	Phenolic acids	Show
3-(3'-Hydroxyphenyl)propionic acid	OC(=O)CCC1=CC=CC(O)=C1	166.062994186	C₉H₁₀O₃	Polyphenols	Phenolic acids	Show
3-(3'-Hydroxyphenyl)propionic acid	OC(=O)CCC1=CC=CC(O)=C1	166.062994186	C₉H₁₀O₃	Polyphenols	Phenolic acids	Show
3-(3',4'-Dihydroxyphenyl)propionic acid	OC(=O)CCC1=CC=C(O)C(O)=C1	182.057908808	C₉H₁₀O₄	Polyphenols	Flavonoids	Show
3-(3',4'-Dihydroxyphenyl)propionic acid	OC(=O)CCC1=CC=C(O)C(O)=C1	182.057908808	C₉H₁₀O₄	Polyphenols	Flavonoids	Show
3-(4'-Hydroxyphenyl)propionic acid-3'-sulfate	OC(=O)CCC1=CC=C(O)C(OS([O-])(=O)=O)=C1	261.007447384	C₉H₉O₇S	Polyphenols	Polyphenol metabolites	Show
3-(4'-Hydroxyphenyl)propionic acid-3'-sulfate	OC(=O)CCC1=CC=C(O)C(OS([O-])(=O)=O)=C1	261.007447384	C₉H₉O₇S	Polyphenols	Polyphenol metabolites	Show
3-Hydroxybenzoic acid	OC(=O)C1=CC(O)=CC=C1	138.031694053	C₇H₆O₃	Polyphenols	Phenolic acids	Show
3-Hydroxybenzoic acid	OC(=O)C1=CC(O)=CC=C1	138.031694053	C₇H₆O₃	Polyphenols	Phenolic acids	Show
3-Hydroxybenzoic acid	OC(=O)C1=CC(O)=CC=C1	138.031694053	C₇H₆O₃	Polyphenols	Phenolic acids	Show
3-Hydroxybenzoic acid	OC(=O)C1=CC(O)=CC=C1	138.031694053	C₇H₆O₃	Polyphenols	Phenolic acids	Show
3-Hydroxybenzoic acid-4-sulfate	OC(=O)CC1=CC=C(OS(O)(=O)=O)C(O)=C1	247.999073772	C₈H₈O₇S		Not Available	Show
3-Hydroxyhippuric acid	OC(=O)CNC(=O)C1=CC=CC(O)=C1	195.053157781	C₉H₉NO₄	Polyphenols	Polyphenol metabolites	Show
3-Hydroxyhippuric acid	OC(=O)CNC(=O)C1=CC=CC(O)=C1	195.053157781	C₉H₉NO₄	Polyphenols	Polyphenol metabolites	Show
3-Hydroxyhippuric acid	OC(=O)CNC(=O)C1=CC=CC(O)=C1	195.053157781	C₉H₉NO₄	Polyphenols	Polyphenol metabolites	Show
3-Phenylpropionic acid	OC(=O)CCC1=CC=CC=C1	150.068079564	C₉H₁₀O₂	Polyphenols	Phenolic acids	Show
3-Phenylpropionic acid	OC(=O)CCC1=CC=CC=C1	150.068079564	C₉H₁₀O₂	Polyphenols	Phenolic acids	Show
3-Phenylpropionic acid	OC(=O)CCC1=CC=CC=C1	150.068079564	C₉H₁₀O₂	Polyphenols	Phenolic acids	Show
3,4-Dimethoxybenzoic acid	COC1=C(OC)C=C(C=C1)C(O)=O	182.057908808	C₉H₁₀O₄	Polyphenols	Phenolic acids	Show
3'-Hydroxyphenylacetic acid	OC(=O)CC1=CC(O)=CC=C1	152.047344122	C₈H₈O₃	Polyphenols	Phenolic acids	Show
3'-Hydroxyphenylacetic acid	OC(=O)CC1=CC(O)=CC=C1	152.047344122	C₈H₈O₃	Polyphenols	Phenolic acids	Show
3'-Methoxy-4'-hydroxyphenylacetic acid	COC1=CC(CC(O)=O)=CC=C1O	182.057908808	C₉H₁₀O₄		Not Available	Show
3'-Methyl-epicatechin-7-O-glucuronide	COC1=CC(=CC=C1O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(OC1OC(C(O)C(O)C1O)C(O)=O)=C2	480.126776213	C₂₂H₂₄O₁₂	Polyphenols	Polyphenol metabolites	Show
3'-O-Methyl-(-)-epicatechin 4'-O-sulfate	COC1=CC(=CC=C1OS(O)(=O)=O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(O)=C2	384.051503269	C₁₆H₁₆O₉S	Polyphenols	Flavonoids	Show
3'-O-Methyl-(-)-epicatechin 5-O-sulfate	COC1=CC(=CC=C1O)[C@H]1OC2=C(C[C@H]1O)C(OS(O)(=O)=O)=CC(O)=C2	384.051503269	C₁₆H₁₆O₉S	Polyphenols	Flavonoids	Show
3'-O-Methyl-(-)-epicatechin 7-O-sulfate	COC1=CC(=CC=C1O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(OS(O)(=O)=O)=C2	384.051503269	C₁₆H₁₆O₉S	Polyphenols	Flavonoids	Show
3'-O-Methyl-(-)-epicatechin glucuronide		480.4258956	C₂₂H₂₄O₁₂	Polyphenols	Flavonoids	Show
3'-O-Methyl-epicatechin	COC1=CC(=CC=C1O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(O)=C2	304.094688244	C₁₆H₁₆O₆	Polyphenols	Polyphenol metabolites	Show
3'-O-Methyl-epicatechin-5-O-glucuronide	COC1=CC(CC=C1O)[C@H]1OC2=CC(O)=CC(OC3OC(C(O)C(O)C3O)C(O)=O)=C2C[C@H]1O	482.142426277	C₂₂H₂₆O₁₂	Polyphenols	Polyphenol metabolites	Show
3'-O-Methyl(epi)catechin O-sulfate		384.3623408	C₁₆H₁₆O₉S	Polyphenols	Flavonoids	Show
3',4'-Dihydroxyphenylacetic acid	OC(=O)CC1=CC(O)=C(O)C=C1	168.042258744	C₈H₈O₄	Polyphenols	Phenolic acids	Show
3',4'-Dihydroxyphenylacetic acid	OC(=O)CC1=CC(O)=C(O)C=C1	168.042258744	C₈H₈O₄	Polyphenols	Phenolic acids	Show
3',4'-Dihydroxyphenylacetic acid	OC(=O)CC1=CC(O)=C(O)C=C1	168.042258744	C₈H₈O₄	Polyphenols	Phenolic acids	Show
4-(1-Carboxy-3-hydroxyphenyl)beta-D-glucuronic acid	O[C@@H]1[C@@H](O)[C@@H](OC2=C(O)C=C(C=C2)C(O)=O)OC([C@H]1O)C(O)=O	330.058696651	C₁₃H₁₄O₁₀	Polyphenols	Flavonoids	Show
4-(1-Carboxy-3-hydroxyphenyl)beta-D-glucuronic acid	O[C@@H]1[C@@H](O)[C@@H](OC2=C(O)C=C(C=C2)C(O)=O)OC([C@H]1O)C(O)=O	330.058696651	C₁₃H₁₄O₁₀	Polyphenols	Flavonoids	Show
4-(1-Carboxy-3-hydroxyphenyl)beta-D-glucuronic acid	O[C@@H]1[C@@H](O)[C@@H](OC2=C(O)C=C(C=C2)C(O)=O)OC([C@H]1O)C(O)=O	330.058696651	C₁₃H₁₄O₁₀	Polyphenols	Flavonoids	Show
4-(1-Carboxyphenyl)beta-D-glucuronic acid	O[C@@H]1[C@@H](O)[C@@H](OC2=CC=C(C=C2)C(O)=O)OC([C@H]1O)C(O)=O	314.063782031	C₁₃H₁₄O₉	Polyphenols	Flavonoids	Show
4-(1-Carboxyphenyl)beta-D-glucuronic acid	O[C@@H]1[C@@H](O)[C@@H](OC2=CC=C(C=C2)C(O)=O)OC([C@H]1O)C(O)=O	314.063782031	C₁₃H₁₄O₉	Polyphenols	Flavonoids	Show
4-(1-Carboxyphenyl)beta-D-glucuronic acid	O[C@@H]1[C@@H](O)[C@@H](OC2=CC=C(C=C2)C(O)=O)OC([C@H]1O)C(O)=O	314.063782031	C₁₃H₁₄O₉	Polyphenols	Flavonoids	Show
4-hydroxy-5-(3'-methoxyphenyl)valeric acid-4'-glucuronide	COC1=CC(CC(O)CCC(O)=O)=CC=C1OC1OC(C(O)C(O)C1O)C(O)=O	416.131861593	C₁₈H₂₄O₁₁	Polyphenols	Polyphenol metabolites	Show
4-Hydroxybenzaldehyde	OC1=CC=C(C=O)C=C1	122.036779436	C₇H₆O₂	Polyphenols	Phenolic acids	Show
4-Hydroxybenzoic acid	OC(=O)C1=CC=C(O)C=C1	138.031694053	C₇H₆O₃	Polyphenols	Phenolic acids	Show
4-Hydroxybenzoic acid	OC(=O)C1=CC=C(O)C=C1	138.031694053	C₇H₆O₃	Polyphenols	Phenolic acids	Show
4-Hydroxybenzoic acid	OC(=O)C1=CC=C(O)C=C1	138.031694053	C₇H₆O₃	Polyphenols	Phenolic acids	Show
4-Hydroxybenzoic acid	OC(=O)C1=CC=C(O)C=C1	138.031694053	C₇H₆O₃	Polyphenols	Phenolic acids	Show
4-Hydroxybenzoic acid -3-sulfate	OC(=O)C1=CC=C(O)C(OS([O-])(=O)=O)=C1	232.976147255	C₇H₅O₇S	Polyphenols	Polyphenol metabolites	Show
4-Hydroxybenzoic acid -3-sulfate	OC(=O)C1=CC=C(O)C(OS([O-])(=O)=O)=C1	232.976147255	C₇H₅O₇S	Polyphenols	Polyphenol metabolites	Show
4-Hydroxyhippuric acid	OC(=O)CNC(=O)C1=CC=C(O)C=C1	195.053157781	C₉H₉NO₄	Polyphenols	Polyphenol metabolites	Show
4-Hydroxymandelic acid	OC(C(O)=O)C1=CC=C(O)C=C1	168.042258744	C₈H₈O₄	Polyphenols	Polyphenol metabolites	Show
4-Hydroxyphenylpropionic acid	OC(=O)CCC1=CC=C(O)C=C1	166.062994186	C₉H₁₀O₃	Polyphenols	Phenolic acids	Show
4-Methoxybenzaldehyde	COC1=CC=C(C=O)C=C1	136.0524295	C₈H₈O₂	Polyphenols	Flavonoids	Show
4'-Hydroxyphenylacetic acid	OC(=O)CC1=CC=C(O)C=C1	152.047344122	C₈H₈O₃	Polyphenols	Phenolic acids	Show
4'-Hydroxyphenylacetic acid	OC(=O)CC1=CC=C(O)C=C1	152.047344122	C₈H₈O₃	Polyphenols	Phenolic acids	Show
4'-Hydroxyphenylacetic acid	OC(=O)CC1=CC=C(O)C=C1	152.047344122	C₈H₈O₃	Polyphenols	Phenolic acids	Show
4'-Hydroxyphenylacetic acid	OC(=O)CC1=CC=C(O)C=C1	152.047344122	C₈H₈O₃	Polyphenols	Phenolic acids	Show
4'-O-Methyl-(-)-epicatechin 5-O-sulfate	COC1=CC=C(C=C1O)[C@H]1OC2=C(C[C@H]1O)C(OS(O)(=O)=O)=CC(O)=C2	384.051503269	C₁₆H₁₆O₉S	Polyphenols	Flavonoids	Show
4'-O-Methyl-(-)-epicatechin 7-O-sulfate	COC1=C(O)C=C(C=C1)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(OS(O)(=O)=O)=C2	384.051503269	C₁₆H₁₆O₉S	Polyphenols	Polyphenol metabolites	Show
4'-O-Methyl-(-)-epicatechin glucuronide		480.4258956	C₂₂H₂₄O₁₂	Polyphenols	Flavonoids	Show
4'-O-methyl(epi)catechin O-sulfate		384.3623408	C₁₆H₁₆O₉S	Polyphenols	Flavonoids	Show
5-(3'-Hydroxyphenyl)-gamma-hydroxyvaleric acid	OC(CCC(O)=O)CC1=CC=CC(O)=C1	210.089208931	C₁₁H₁₄O₄	Polyphenols	Flavonoids	Show
5-(3'-hydroxyphenyl)-gamma-hydroxyvaleric acid -4'-O-glucuronide	OC(CCC(O)=O)CC1=CC=C(OC2OC(C(O)C(O)C2O)C(O)=O)C(O)=C1	402.116211528	C₁₇H₂₂O₁₁	Polyphenols	Polyphenol metabolites	Show
5-(3'-Hydroxyphenyl)-gamma-valerolactone	OC1=CC=CC(CC2CCC(=O)O2)=C1	192.078644246	C₁₁H₁₂O₃	Polyphenols	Flavonoids	Show
5-(3'-hydroxyphenyl)-gamma-valerolactone-4'-O-beta-D-glucuronide	OC1C(O)C(OC2=CC=C(CC3CCC(=O)O3)C=C2O)OC(C1O)C(O)=O	384.105646844	C₁₇H₂₀O₁₀	Polyphenols	Polyphenol metabolites	Show
5-(3'-hydroxyphenyl)valeric acid	OC(=O)CCCCC1=CC=CC(O)=C1	194.094294314	C₁₁H₁₄O₃	Polyphenols	Flavonoids	Show
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone	OC1=C(O)C=C(CC2CCC(=O)O2)C=C1	208.073558872	C₁₁H₁₂O₄	Polyphenols	Flavonoids	Show
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone	OC1=C(O)C=C(CC2CCC(=O)O2)C=C1	208.073558872	C₁₁H₁₂O₄	Polyphenols	Flavonoids	Show
5-(3',4'-dihydroxyphenyl)valeric acid	OC(=O)CCCCC1=CC=C(O)C(O)=C1	210.089208936	C₁₁H₁₄O₄	Polyphenols	Flavonoids	Show
5-(3',4'-dihydroxyphenyl)valeric acid	OC(=O)CCCCC1=CC=C(O)C(O)=C1	210.089208936	C₁₁H₁₄O₄	Polyphenols	Flavonoids	Show
5-(4'-hydroxyphenyl)-gamma-valerolactone-3'-sulfate	OC1=CC=C(C[C@H]2CCC(=O)O2)C=C1OS([O-])(=O)=O	287.023097448	C₁₁H₁₁O₇S	Polyphenols	Polyphenol metabolites	Show
5-(4’-hydroxyphenyl)-gamma-valerolactone	OC1=CC=C(CC2CCC(=O)O2)C=C1	192.078644246	C₁₁H₁₂O₃	Polyphenols	Not Available	Show
5-(4’-hydroxyphenyl)-gamma-valerolactone	OC1=CC=C(CC2CCC(=O)O2)C=C1	192.078644246	C₁₁H₁₂O₃	Polyphenols	Not Available	Show
5-(Phenyl)-gamma-hydroxyvaleric acid-3'-sulfate	OC(CCC(O)=O)CC1=CC=CC(OS([O-])(=O)=O)=C1	289.038747513	C₁₁H₁₃O₇S	Polyphenols	Polyphenol metabolites	Show
5-(Phenyl)-gamma-valerolactone-3'-sulfate	[O-]S(=O)(=O)OC1=CC(CC2CCC(=O)O2)=CC=C1	271.028182828	C₁₁H₁₁O₆S	Polyphenols	Polyphenol metabolites	Show
6-Sulfatoxymelatonin	[H]N(CCC1=CN([H])C2=CC(OS(O)(=O)=O)=C(OC)C=C12)C(C)=O	328.072906944	C₁₃H₁₆N₂O₆S	Miscellaneous phytochemicals	Miscellaneous phytochemical metabolites	Show
Benzoic acid	OC(=O)C1=CC=CC=C1	122.036779433	C₇H₆O₂	Polyphenols	Phenolic acids	Show
Benzoic acid	OC(=O)C1=CC=CC=C1	122.036779433	C₇H₆O₂	Polyphenols	Phenolic acids	Show
Benzoic acid	OC(=O)C1=CC=CC=C1	122.036779433	C₇H₆O₂	Polyphenols	Phenolic acids	Show
Caffeic acid	OC(=O)\C=C\C1=CC(O)=C(O)C=C1	180.042258744	C₉H₈O₄	Polyphenols	Phenolic acids	Show
Caffeic acid	OC(=O)\C=C\C1=CC(O)=C(O)C=C1	180.042258744	C₉H₈O₄	Polyphenols	Phenolic acids	Show
Caffeic acid 3'-sulfate	[H]\C(=C(\[H])C1=CC(OS(O)(=O)=O)=C(O)C=C1)C(O)=O	259.9990733	C₉H₈O₇S	Polyphenols	Polyphenol metabolites	Show
Caffeic acid sulfoglucuronide		436.3485242	C₁₅H₁₆O₁₃S	Polyphenols	Phenolic acids	Show
caffeic acid-3'-O-glucuronide	OC1C(OC2=C(O)C=CC(\C=C\C(O)=O)=C2)OC(C(O)C1O)C(O)=O	356.074346715	C₁₅H₁₆O₁₀		Not Available	Show
caffeic acid-4-O-sulfate	OC(=O)\C=C\C1=CC(O)=C(OS(O)(=O)=O)C=C1	259.9990733	C₉H₈O₇S		Not Available	Show
caffeic acid-4'-O-glucuronide	OC1C(OC2=C(O)C=C(\C=C\C(O)=O)C=C2)OC(C(O)C1O)C(O)=O	356.074346715	C₁₅H₁₆O₁₀		Not Available	Show
Catechol	OC1=CC=CC=C1O	110.036779436	C₆H₆O₂	Polyphenols	Polyphenol metabolites	Show
Coumaric acid (m-)	OC(=O)\C=C\C1=CC=CC(O)=C1	164.047344122	C₉H₈O₃	Polyphenols	Phenolic acids	Show
Coumaric acid (m-)	OC(=O)\C=C\C1=CC=CC(O)=C1	164.047344122	C₉H₈O₃	Polyphenols	Phenolic acids	Show
Coumaric acid sulfate (p-)		244.2233596	C₉H₈O₆S	Polyphenols	Phenolic acids	Show
Coumaric acid sulfoglucuronide (p-)		420.3492191	C₁₅H₁₆O₁₂S	Polyphenols	Phenolic acids	Show
Coumaric acid-4'-O-glucuronide	O[C@H]1[C@H](OC2=CC=C(\C=C\C(O)=O)C=C2)O[C@@H]([C@@H](O)[C@H]1O)C(O)=O	340.079432095	C₁₅H₁₆O₉	Polyphenols	Phenolic acids	Show
Cyanidin 3-glucoside glucuronide		639.5444741	C₂₈H₃₁O₁₇	Polyphenols	Flavonoids	Show
Cyanidin glucuronide		477.4019678	C₂₂H₂₁O₁₂	Polyphenols	Flavonoids	Show
Dihydro-p-coumaric acid	OC(=O)CCC1=CC=C(O)C=C1	166.062994186	C₉H₁₀O₃	Polyphenols	Phenolic acids	Show
Dihydro-p-coumaric acid	OC(=O)CCC1=CC=C(O)C=C1	166.062994186	C₉H₁₀O₃	Polyphenols	Phenolic acids	Show
Dihydro-p-coumaric acid	OC(=O)CCC1=CC=C(O)C=C1	166.062994186	C₉H₁₀O₃	Polyphenols	Phenolic acids	Show
dihydro-piceid	OCC1OC(OC2=CC(CCC3=CC=C(O)C=C3)=CC(O)=C2)C(O)C(O)C1O	392.147117733	C₂₀H₂₄O₈	Polyphenols	Stilbenes	Show
Dihydro-resveratrol	OC1=CC=C(CCC2=CC(O)=CC(O)=C2)C=C1	230.094294314	C₁₄H₁₄O₃	Polyphenols	Stilbenes	Show
Dihydro-resveratrol sulfate		310.0511	C₁₄H₁₄O₆S	Polyphenols	Polyphenol metabolites	Show
Dihydrocaffeic acid	OC(=O)CCC1=CC=C(O)C(O)=C1	182.057908808	C₉H₁₀O₄	Polyphenols	Phenolic acids	Show
Dihydrocaffeic acid	OC(=O)CCC1=CC=C(O)C(O)=C1	182.057908808	C₉H₁₀O₄	Polyphenols	Phenolic acids	Show
Dihydrocaffeic acid	OC(=O)CCC1=CC=C(O)C(O)=C1	182.057908808	C₉H₁₀O₄	Polyphenols	Phenolic acids	Show
Dihydrocaffeic acid-3-sulfate	OC(=O)CCC1=CC(OS(O)(=O)=O)=C(O)C=C1	262.014723364	C₉H₁₀O₇S	Polyphenols	Polyphenol metabolites	Show
Dihydrocaffeic acid-3'-O-glucuronide	O[C@H]1[C@H](O)[C@@H](OC2=C(O)C=CC(CCC(O)=O)=C2)O[C@H]([C@@H]1O)C(O)=O	358.08999678	C₁₅H₁₈O₁₀	Polyphenols	Phenolic acids	Show
Dihydroferulic acid	COC1=C(O)C=CC(CCC(O)=O)=C1	196.073558872	C₁₀H₁₂O₄	Polyphenols	Phenolic acids	Show
Dihydroferulic acid	COC1=C(O)C=CC(CCC(O)=O)=C1	196.073558872	C₁₀H₁₂O₄	Polyphenols	Phenolic acids	Show
Dihydroferulic acid-4'-O-glucuronide	COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC(CCC(O)=O)=C1	372.10564686	C₁₆H₂₀O₁₀	Polyphenols	Phenolic acids	Show
Dihydroferulic acid-4'-sulfate	COC1=C(OS(O)(=O)=O)C=CC(CCC(O)=O)=C1	276.030373428	C₁₀H₁₂O₇S	Polyphenols	Phenolic acids	Show
Dihydroisoferulic acid	COC1=CC=C(CCC(O)=O)C=C1O	196.073558866	C₁₀H₁₂O₄	Polyphenols	Phenolic acids	Show
Dihydroisoferulic acid-3'-O-glucuronide	OC1C(O)C(OC2=C(O)C=CC(CCC(O)=O)=C2)OC(C1O)C(O)=O	358.08999678	C₁₅H₁₈O₁₀	Polyphenols	Phenolic acids	Show
Ellagic acid	OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2	302.006267153	C₁₄H₆O₈	Polyphenols	Phenolic acids	Show
Ferulic acid	COC1=C(O)C=CC(\C=C\C(O)=O)=C1	194.057908808	C₁₀H₁₀O₄	Polyphenols	Phenolic acids	Show
Ferulic acid	COC1=C(O)C=CC(\C=C\C(O)=O)=C1	194.057908808	C₁₀H₁₀O₄	Polyphenols	Phenolic acids	Show
Ferulic acid	COC1=C(O)C=CC(\C=C\C(O)=O)=C1	194.057908808	C₁₀H₁₀O₄	Polyphenols	Phenolic acids	Show
Ferulic acid sulfoglucuronide		450.375513	C₁₆H₁₈O₁₃S	Polyphenols	Phenolic acids	Show
Ferulic acid sulfoglucuronide		450.375513	C₁₆H₁₈O₁₃S	Polyphenols	Phenolic acids	Show
Ferulic acid-4'-O-glucuronide	[H]\C(=C(\[H])C1=CC(OC)=C(O[C@H]2O[C@H]([C@H](O)[C@H](O)[C@@H]2O)C(O)=O)C=C1)C(O)=O	370.08999678	C₁₆H₁₈O₁₀	Polyphenols	Phenolic acids	Show
Ferulic acid-4'-O-glucuronide	[H]\C(=C(\[H])C1=CC(OC)=C(O[C@H]2O[C@H]([C@H](O)[C@H](O)[C@@H]2O)C(O)=O)C=C1)C(O)=O	370.08999678	C₁₆H₁₈O₁₀	Polyphenols	Phenolic acids	Show
Ferulic acid-4'-sulfate	[H]\C(=C(\[H])C1=CC(OC)=C(OS(O)(=O)=O)C=C1)C(O)=O	274.014723364	C₁₀H₁₀O₇S	Polyphenols	Phenolic acids	Show
Ferulic acid-4'-sulfate	[H]\C(=C(\[H])C1=CC(OC)=C(OS(O)(=O)=O)C=C1)C(O)=O	274.014723364	C₁₀H₁₀O₇S	Polyphenols	Phenolic acids	Show
Feruloylglycine	COC1=CC(\C=C\C(=O)NCC(O)=O)=CC=C1O	251.079372531	C₁₂H₁₃NO₅	Polyphenols	Phenolic acids	Show
Feruloylglycine	COC1=CC(\C=C\C(=O)NCC(O)=O)=CC=C1O	251.079372531	C₁₂H₁₃NO₅	Polyphenols	Phenolic acids	Show
Hippuric acid	OC(=O)CNC(=O)C1=CC=CC=C1	179.058243159	C₉H₉NO₃	Polyphenols	Polyphenol metabolites	Show
Hippuric acid	OC(=O)CNC(=O)C1=CC=CC=C1	179.058243159	C₉H₉NO₃	Polyphenols	Polyphenol metabolites	Show
Hippuric acid	OC(=O)CNC(=O)C1=CC=CC=C1	179.058243159	C₉H₉NO₃	Polyphenols	Polyphenol metabolites	Show
Hippuric acid	OC(=O)CNC(=O)C1=CC=CC=C1	179.058243159	C₉H₉NO₃	Polyphenols	Polyphenol metabolites	Show
Hippuric acid	OC(=O)CNC(=O)C1=CC=CC=C1	179.058243159	C₉H₉NO₃	Polyphenols	Polyphenol metabolites	Show
Hippuric acid	OC(=O)CNC(=O)C1=CC=CC=C1	179.058243159	C₉H₉NO₃	Polyphenols	Polyphenol metabolites	Show
Hydroxybenzoic acid		138.1230293	C₇H₆O₃	Polyphenols	Phenolic acids	Show
Hydroxyhippuric acid		195.175099	C₉H₉NO₄	Polyphenols	Phenolic acids	Show
Isoferulic acid	COC1=C(O)C=C(\C=C\C(O)=O)C=C1	194.057908808	C₁₀H₁₀O₄	Polyphenols	Phenolic acids	Show
Isoferulic acid	COC1=C(O)C=C(\C=C\C(O)=O)C=C1	194.057908808	C₁₀H₁₀O₄	Polyphenols	Phenolic acids	Show
Isoferulic acid-3'-O-glucuronide	COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C(\C=C\C(O)=O)C=C1	370.089996796	C₁₆H₁₈O₁₀	Polyphenols	Phenolic acids	Show
Isoferulic acid-3'-sulfate	[H]\C(=C(\[H])C1=CC(OS(O)(=O)=O)=C(OC)C=C1)C(O)=O	274.014723364	C₁₀H₁₀O₇S	Polyphenols	Phenolic acids	Show
Isopeonidin 3-glucoside	COC1=C(O)C=C(C=C1)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	463.123487981	C₂₂H₂₃O₁₁	Polyphenols	Flavonoids	Show
Isopeonidin 3-rutinoside	[H]C1=C(O[C@H]2OC(CO[C@H]3OC(C)[C@@H](O)[C@@H](O)C3O)[C@H](O)C(O)C2O)C(=[O+]C2=CC(O)=CC(O)=C12)C1=CC=C(OC)C(O)=C1	609.181396783	C₂₈H₃₃O₁₅	Polyphenols	Flavonoids	Show
Isopeonidin glucuronide		491.4289566	C₂₃H₂₃O₁₂	Polyphenols	Flavonoids	Show
Isovanillic acid	COC1=CC=C(C=C1O)C(O)=O	168.042258744	C₈H₈O₄	Polyphenols	Phenolic acids	Show
Isovanillic acid-3-O-glucuronide	COC1=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C(C=C1)C(O)=O	344.074346715	C₁₄H₁₆O₁₀	Polyphenols	Phenolic acids	Show
Isovanillic acid-3-O-sulfate	COC1=C(OS(O)(=O)=O)C=C(C=C1)C(O)=O	247.999073772	C₈H₈O₇S	Polyphenols	Flavonoids	Show
Methyl-(-)-epicatechin sulfate		384.3623408	C₁₆H₁₆O₉S	Polyphenols	Flavonoids	Show
Methyl-(-)-epicatechin sulfoglucuronide		560.4882003	C₂₂H₂₄O₁₅S	Polyphenols	Flavonoids	Show
Methyl-3,4-dihydroxybenzoate	COC(=O)C1=CC=C(O)C(O)=C1	168.042258738	C₈H₈O₄	Polyphenols	Flavonoids	Show
Methylcyanidin 3-glucoside-glucuronide		653.5714628	C₂₉H₃₃O₁₇	Polyphenols	Flavonoids	Show
Methylcyanidin glucuronide		491.4289566	C₂₃H₂₃O₁₂	Polyphenols	Flavonoids	Show
Methylvanillate	COC(=O)C1=CC(OC)=C(O)C=C1	182.057908808	C₉H₁₀O₄	Polyphenols	Flavonoids	Show
Myricetin 3-O-glucuronide	O[C@@H]1[C@@H](O)[C@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C(O)=C2)O[C@@H]([C@H]1O)C(O)=O	494.069655284	C₂₁H₁₈O₁₄	Polyphenols	Flavonoids	Show
Myricetin 5-O-glucuronide	O[C@@H]1[C@@H](O)[C@H](OC2=C3C(OC(=C(O)C3=O)C3=CC(O)=C(O)C(O)=C3)=CC(O)=C2)O[C@@H]([C@H]1O)C(O)=O	494.06965526	C₂₁H₁₈O₁₄	Polyphenols	Flavonoids	Show
Myricetin 7-O-glucuronide	O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C(OC(=C(O)C3=O)C3=CC(O)=C(O)C(O)=C3)=C2)O[C@@H]([C@H]1O)C(O)=O	494.06965526	C₂₁H₁₈O₁₄	Polyphenols	Flavonoids	Show
Pelargonidin glucuronide		461.4026627	C₂₂H₂₁O₁₁	Polyphenols	Flavonoids	Show
Pelargonidin sulfate		351.3121191	C₁₅H₁₁O₈S	Polyphenols	Flavonoids	Show
Peonidin 3-glucoside	COC1=C(O)C=CC(=C1)C1=[O+]C2=CC(O)=CC(O)=C2C=C1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	463.123487981	C₂₂H₂₃O₁₁	Polyphenols	Flavonoids	Show
Peonidin 3-glucoside glucuronide		653.5714628	C₂₉H₃₃O₁₇	Polyphenols	Flavonoids	Show
Peonidin 3-rutinoside	[H]C1=C(O[C@H]2OC(CO[C@H]3OC(C)[C@@H](O)[C@@H](O)C3O)[C@H](O)C(O)C2O)C(=[O+]C2=CC(O)=CC(O)=C12)C1=CC=C(O)C(OC)=C1	609.181396783	C₂₈H₃₃O₁₅	Polyphenols	Flavonoids	Show
Peonidin glucuronide		491.4289566	C₂₃H₂₃O₁₂	Polyphenols	Flavonoids	Show
Phenylacetic acid	OC(=O)CC1=CC=CC=C1	136.0524295	C₈H₈O₂	Polyphenols	Phenolic acids	Show
Phenylacetic acid	OC(=O)CC1=CC=CC=C1	136.0524295	C₈H₈O₂	Polyphenols	Phenolic acids	Show
Phloretin	OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2O)C=C1	274.084123558	C₁₅H₁₄O₅	Polyphenols	Flavonoids	Show
Phloroglucinaldehyde	OC1=CC(O)=C(C=O)C(O)=C1	154.026608673	C₇H₆O₄	Polyphenols	Flavonoids	Show
Piceid (cis-)	[H]\C(=C(/[H])C1=CC(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)=CC(O)=C1)C1=CC=C(O)C=C1	390.131467668	C₂₀H₂₂O₈	Polyphenols	Stilbenes	Show
Piceid-glucuronide		566.164	C₂₆H₃₀O₁₄	Polyphenols	Stilbenes	Show
Piceid-sulfate		470.088	C₂₀H₂₂O₁₁S	Polyphenols	Stilbenes	Show
Protocatechualdehyde	OC1=CC=C(C=O)C=C1O	138.031694058	C₇H₆O₃	Polyphenols	Flavonoids	Show
Protocatechuic acid	OC(=O)C1=CC(O)=C(O)C=C1	154.026608673	C₇H₆O₄	Polyphenols	Phenolic acids	Show
Protocatechuic acid	OC(=O)C1=CC(O)=C(O)C=C1	154.026608673	C₇H₆O₄	Polyphenols	Phenolic acids	Show
Protocatechuic acid	OC(=O)C1=CC(O)=C(O)C=C1	154.026608673	C₇H₆O₄	Polyphenols	Phenolic acids	Show
Protocatechuic acid-3-O-glucuronide	OC1C(O)C(OC2=C(O)C=CC(=C2)C(O)=O)OC(C1O)C(O)=O	330.058696651	C₁₃H₁₄O₁₀	Polyphenols	Phenolic acids	Show
Protocatechuic acid-3-O-sulfate	OC(=O)C1=CC(OS(O)(=O)=O)=C(O)C=C1	233.983423707	C₇H₆O₇S	Polyphenols	Phenolic acids	Show
Protocatechuic acid-4-O-glucuronide	OC1C(O)C(OC2=C(O)C=C(C=C2)C(O)=O)OC(C1O)C(O)=O	330.058696651	C₁₃H₁₄O₁₀	Polyphenols	Phenolic acids	Show
Protocatechuic acid-4-O-sulfate	OC(=O)C1=CC(O)=C(OS(O)(=O)=O)C=C1	233.983423707	C₇H₆O₇S	Polyphenols	Phenolic acids	Show
Resveratrol (cis-)	[H]\C(=C(/[H])C1=CC(O)=CC(O)=C1)C1=CC=C(O)C=C1	228.078644246	C₁₄H₁₂O₃	Polyphenols	Stilbenes	Show
Resveratrol (trans-)	OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1	228.078644246	C₁₄H₁₂O₃	Polyphenols	Stilbenes	Show
resveratrol-3-O-glucuronide	OC1C(OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)OC(C(O)C1O)C(O)=O	404.110732224	C₂₀H₂₀O₉	Polyphenols	Stilbenes	Show
resveratrol-sulfate		308.0355	C₁₄H₁₂O₆S	Polyphenols	Stilbenes	Show
trans-Resveratrol 3-O-sulfate	OC1=CC=C(\C=C\C2=CC(O)=CC(OS(O)(=O)=O)=C2)C=C1	308.035458806	C₁₄H₁₂O₆S	Polyphenols	Stilbenes	Show
trans-Resveratrol-2-C-β-D-/4-O-β-D-diglucuronide	OC1C(OC2=CC(O)=C(C3OC(C(O)C(O)C3O)C(O)=O)C(\C=C\C3=CC=C(O)C=C3)=C2)OC(C(O)C1O)C(O)=O	580.142820202	C₂₆H₂₈O₁₅	Polyphenols	Stilbenes	Show
trans-Resveratrol-2-C-β-D-/4'-O-β-D-diglucuronide	OC1C(OC2=CC=C(\C=C\C3=C(C4OC(C(O)C(O)C4O)C(O)=O)C(O)=CC(O)=C3)C=C2)OC(C(O)C1O)C(O)=O	580.142820202	C₂₆H₂₈O₁₅	Polyphenols	Stilbenes	Show
trans-Resveratrol-3,4′-disulfate	OC1=CC(OS(O)(=O)=O)=CC(\C=C\C2=CC=C(OS(O)(=O)=O)C=C2)=C1	387.992273362	C₁₄H₁₂O₉S₂	Polyphenols	Stilbenes	Show
trans-Resveratrol-3,5-disulfate	OC1=CC=C(\C=C\C2=CC(OS(O)(=O)=O)=CC(OS(O)(=O)=O)=C2)C=C1	387.992273362	C₁₄H₁₂O₉S₂	Polyphenols	Stilbenes	Show
trans-Resveratrol-4′-O-glucuronide	OC1C(OC2=CC=C(\C=C\C3=CC(O)=CC(O)=C3)C=C2)OC(C(O)C1O)C(O)=O	404.110732224	C₂₀H₂₀O₉	Polyphenols	Stilbenes	Show
trans-resveratrol-5-O-glucuronide	OC1OC(C(O)C(O)C1OC1=CC(\C=C\C2=CC=C(O)C=C2)=CC(O)=C1)C(O)=O	404.110732224	C₂₀H₂₀O₉	Polyphenols	Stilbenes	Show
Urolithin A	OC1=CC2=C(C=C1)C1=C(C=C(O)C=C1)C(=O)O2	228.042258744	C₁₃H₈O₄	Polyphenols	Polyphenol metabolites	Show
Urolithin A-3-glucuronide	OC1C(O)C(OC2=CC=C3C(OC(=O)C4=CC(O)=CC=C34)=C2)OC(C1O)C(O)=O	404.074346732	C₁₉H₁₆O₁₀	Polyphenols	Polyphenol metabolites	Show
Urolithin A-8-O-glucuronide	O[C@H]1[C@H](O)[C@@H](OC2=CC=C3C(OC(=O)C4=C3C=CC(O)=C4)=C2)O[C@H]([C@@H]1O)C(O)=O	404.074346732	C₁₉H₁₆O₁₀	Polyphenols	Polyphenol metabolites	Show
Urolithin B	OC1=CC2=C(C=C1)C1=C(C=CC=C1)C(=O)O2	212.047344122	C₁₃H₈O₃	Polyphenols	Polyphenol metabolites	Show
Urolithin B-3-glucuronide	O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(C=C2)C2=C(C=CC=C2)C(=O)O3)O[C@@H]([C@H]1O)C(O)=O	388.07943211	C₁₉H₁₆O₉	Polyphenols	Polyphenol metabolites	Show
Urolithin C	OC1=CC2=C(C=C1)C1=C(C=C(O)C(O)=C1)C(=O)O2	244.037173366	C₁₃H₈O₅	Polyphenols	Polyphenol metabolites	Show
Urolithin C-3-glucuronide	OC1C(O)C(OC2=CC3=C(C=C2)C2=CC(O)=C(O)C=C2C(=O)O3)OC(C1O)C(O)=O	420.069261335	C₁₉H₁₆O₁₁	Polyphenols	Polyphenol metabolites	Show
Urolithin D	OC1=CC2=C(C=C1O)C1=CC=C(O)C(O)=C1OC2=O	260.032087988	C₁₃H₈O₆	Polyphenols	Polyphenol metabolites	Show
Vanillic acid	COC1=C(O)C=CC(=C1)C(O)=O	168.042258738	C₈H₈O₄	Polyphenols	Phenolic acids	Show
Vanillic acid	COC1=C(O)C=CC(=C1)C(O)=O	168.042258738	C₈H₈O₄	Polyphenols	Phenolic acids	Show
Vanillic acid	COC1=C(O)C=CC(=C1)C(O)=O	168.042258738	C₈H₈O₄	Polyphenols	Phenolic acids	Show
Vanillic acid 4-O-glucuronide	COC1=CC(=CC=C1OC1OC(C(O)C(O)C1C)C(O)=O)C(O)=O	342.09508216	C₁₅H₁₈O₉	Polyphenols	Phenolic acids	Show
Vanillic acid-4-O-sulfate	COC1=C(OS(O)(=O)=O)C=CC(=C1)C(O)=O	247.9990733	C₈H₈O₇S	Polyphenols	Phenolic acids	Show
Vanilloylglycine	COC1=C(O)C=CC(=C1)C(O)=NCC(O)=O	225.063722467	C₁₀H₁₁NO₅	Polyphenols	Phenolic acids	Show
Vanilloylglycine	COC1=C(O)C=CC(=C1)C(O)=NCC(O)=O	225.063722467	C₁₀H₁₁NO₅	Polyphenols	Phenolic acids	Show

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