PhytoHub: Showing entry for Tomato

Tomato

Group:: Vegetables, Fruit vegetables

Identification

Name: Tomato
Food group: Vegetables, Fruit vegetables

External Links

FooDB (Foods): 171
ITIS: 521671

Compounds

Name	Structure	Monoisotopic mass	Formula	Family	Class
Carotene-alpha	C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)/C=C/C=C(\C)/C=C/[C@H]1C(C)=CCCC1(C)C	536.438201792	C₄₀H₅₆	Terpenoids	Carotenoids	Publications	Show
Carotene-beta	C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C	536.438201803	C₄₀H₅₆	Terpenoids	Carotenoids	Publications	Show
Carotene-gamma	CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C	536.438201803	C₄₀H₅₆	Terpenoids	Carotenoids	Publications	Show
Carotene-zeta	[H]\C(CC\C(C)=C(/[H])\C(\[H])=C(/[H])\C(\C)=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/C)\C(\[H])=C(/[H])\C(\[H])=C(/C)CC\C([H])=C(/C)CCC=C(C)C)=C(\C)CCC=C(C)C	540.469501932	C₄₀H₆₀	Terpenoids	Carotenoids	Publications	Show
Lutein	C\C(\C=C\C=C(/C)\C=C\[C@H]1C(C)=C[C@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C	568.428031043	C₄₀H₅₆O₂	Terpenoids	Carotenoids	Publications	Show
Lycopene	CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)CCC=C(C)C	536.438201803	C₄₀H₅₆	Terpenoids	Carotenoids	Publications	Show
Lycoxanthin	CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)CC\C=C(/C)CO	552.433116423	C₄₀H₅₆O	Terpenoids	Carotenoids	Publications	Show
Mutatochrome	C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)C1OC2(C)CCCC(C)(C)C2=C1	552.433116423	C₄₀H₅₆O	Terpenoids	Carotenoids	Publications	Show
Campestanol	CC(C)[C@H](C)CC[C@@H](C)C1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C	402.38616623	C₂₈H₅₀O	Terpenoids	Phytosterols	Publications	Show
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
Sitostanol-beta	CC[C@H](CC[C@@H](C)C1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C	416.401816294	C₂₉H₅₂O	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
Stigmasterol	CC[C@H](\C=C\[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C	412.370516166	C₂₉H₄₈O	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
Resveratrol (trans-)	OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1	228.078644246	C₁₄H₁₂O₃	Polyphenols	Stilbenes	Publications	Show
Resveratrol (cis-)	[H]\C(=C(/[H])C1=CC(O)=CC(O)=C1)C1=CC=C(O)C=C1	228.078644246	C₁₄H₁₂O₃	Polyphenols	Stilbenes	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
Tomatine	C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)O[C@@]11CC[C@H](C)CN1	1033.545758723	C₅₀H₈₃NO₂₁	N-containing compounds	Alkaloids	Publications	Show
Caffeic acid	OC(=O)\C=C\C1=CC(O)=C(O)C=C1	180.042258744	C₉H₈O₄	Polyphenols	Phenolic acids	Publications	Show
4-Caffeoylquinic acid	OC1CC(O)(CC(O)C1OC(=O)\C=C\C1=CC=C(O)C(O)=C1)C(O)=O	354.09508216	C₁₆H₁₈O₉	Polyphenols	Phenolic acids	Publications	Show
Quercetin	OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1	302.042652674	C₁₅H₁₀O₇	Polyphenols	Flavonoids	Publications	Show
Naringenin	OC1=CC=C(C=C1)C1CC(=O)C2=C(O)C=C(O)C=C2O1	272.068473486	C₁₅H₁₂O₅	Polyphenols	Flavonoids	Publications	Show
Coumaric acid (p-)	OC(=O)\C=C\C1=CC=C(O)C=C1	164.047344122	C₉H₈O₃	Polyphenols	Phenolic acids	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
Naringenin 7-O-glucoside	OC[C@H]1O[C@@H](OC2=CC3=C(C(=O)C[C@H](O3)C3=CC=C(O)C=C3)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O	434.121296924	C₂₁H₂₂O₁₀	Polyphenols	Flavonoids	Publications	Show
Chlorogenic 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
Melatonin	COC1=CC=C2NC=C(CCNC(C)=O)C2=C1	232.121177766	C₁₃H₁₆N₂O₂	Miscellaneous phytochemicals	Not Available	Publications	Show
Serotonin	NCCC1=CNC2=CC=C(O)C=C12	176.094963016	C₁₀H₁₂N₂O	N-containing compounds	Amines	Publications	Show
Tryptamine	NCCC1=CNC2=CC=CC=C12	160.100048394	C₁₀H₁₂N₂	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
Rishitin	[H]O[C@@H]1CC2=C(C([H])([H])[C@@H](CC2)C(=C([H])[H])C([H])([H])[H])[C@@]([H])([C@H]1O[H])C([H])([H])[H]	222.161979948	C₁₄H₂₂O₂	Terpenoids	Sesquiterpenoids	Publications	Show
Dehydrotomatine	C[C@H]1C2C(CC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)O[C@@]11CC[C@H](C)CN1	1031.530108632	C₅₀H₈₁NO₂₁	N-containing compounds	Alkaloids	Publications	Show
6-hydroxy-1-methyl-1,2,3,4-tetrahydro-beta-carboline	CC1NCCC2=C1NC1=CC=C(O)C=C21	202.110613079	C₁₂H₁₄N₂O	N-containing compounds	Alkaloids	Publications	Show
Phytofluene	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C=C/C=C(\C)/C=C/C=C(\C)CC\C=C(/C)CCC=C(C)C	542.485151984	C₄₀H₆₂	Terpenoids	Carotenoids	Publications	Show
Phytoene	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C=C/C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C	544.500802061	C₄₀H₆₄	Terpenoids	Carotenoids	Publications	Show
Ferulic acid	COC1=C(O)C=CC(\C=C\C(O)=O)=C1	194.057908808	C₁₀H₁₀O₄	Polyphenols	Phenolic acids	Publications	Show

Related Metabolites

Name	Structure	Monoisotopic mass	Formula	Family	Class
2-Methoxyphenylacetic acid	COC1=CC=CC=C1CC(O)=O	166.062994182	C₉H₁₀O₃	Polyphenols	Flavonoids	Show
2,4,6-Trihydroxybenzoic acid	OC(=O)C1=C(O)C=C(O)C=C1O	170.021523302	C₇H₆O₅	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',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-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	Phenolic acids	Show
3-Hydroxyhippuric acid	OC(=O)CNC(=O)C1=CC=CC(O)=C1	195.053157781	C₉H₉NO₄	Polyphenols	Phenolic acids	Show
3-Hydroxyhippuric acid	OC(=O)CNC(=O)C1=CC=CC(O)=C1	195.053157781	C₉H₉NO₄	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-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
3,4'-dihydroxy-trans-stilbene	OC1=CC=C(\C=C\C2=CC=CC(O)=C2)C=C1	212.083729626	C₁₄H₁₂O₂	Polyphenols	Stilbenes	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',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-Ethylbenzoic acid	CCC1=CC=C(C=C1)C(O)=O	150.068079564	C₉H₁₀O₂	Polyphenols	Flavonoids	Show
4-Ethylphenol	CCC1=CC=C(O)C=C1	122.073164942	C₈H₁₀O	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-Hydroxyhippuric acid	OC(=O)CNC(=O)C1=CC=C(O)C=C1	195.053157781	C₉H₉NO₄	Polyphenols	Phenolic acids	Show
4-Hydroxyhippuric acid	OC(=O)CNC(=O)C1=CC=C(O)C=C1	195.053157781	C₉H₉NO₄	Polyphenols	Phenolic acids	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'-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
5-Hydroxyindole acetic acid	OC(=O)CC1=CNC2=CC=C(O)C=C12	191.058243159	C₁₀H₉NO₃	N-containing compounds	Amines	Show
5-methoxyresveratrol-3-O-sulphate	COC1=CC(OS(O)(=O)=O)=CC(\C=C\C2=CC=C(O)C=C2)=C1	322.051109345	C₁₅H₁₄O₆S	Polyphenols	Stilbenes	Show
5-methoxyresveratrol-3-O-β-glucoside	COC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC(\C=C\C2=CC=C(O)C=C2)=C1	404.147117733	C₂₁H₂₄O₈	Polyphenols	Stilbenes	Show
6-hydroxy-1-methyl-1,2,3,4-tetrahydro-beta-carboline sulfate	CC1NCCC2=C1NC1=CC=C(OS(O)(=O)=O)C=C21	282.067428113	C₁₂H₁₄N₂O₄S	Miscellaneous phytochemicals	Not Available	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
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 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
cis-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
cis-Resveratrol-3-sulfate	OC1=CC=C(\C=C/C2=CC(OS(O)(=O)=O)=CC(O)=C2)C=C1	308.035458806	C₁₄H₁₂O₆S	Polyphenols	Stilbenes	Show
cis-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
cis-Resveratrol-4'-sulfate	OC1=CC(\C=C/C2=CC=C(OS(O)(=O)=O)C=C2)=CC(O)=C1	308.035458806	C₁₄H₁₂O₆S	Polyphenols	Stilbenes	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 (p-)	OC(=O)\C=C\C1=CC=C(O)C=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
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-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	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
Dihydro-resveratrol sulfate		310.0511	C₁₄H₁₄O₆S	Polyphenols	Polyphenol metabolites	Show
Dihydro-resveratrol-3-O-glucuronide	OC1C(O)C(OC2=CC(CCC3=CC=C(O)C=C3)=CC(O)=C2)OC(C1O)C(O)=O	406.126382288	C₂₀H₂₂O₉	Polyphenols	Stilbenes	Show
Dihydro-resveratrol-3,5-diglucuronide	OC1OC(C(O)C(OC2=CC(OC3OC(C(O)C(O)C3O)C(O)=O)=CC(CCC3=CC=C(O)C=C3)=C2)C1O)C(O)=O	582.158470266	C₂₆H₃₀O₁₅	Polyphenols	Stilbenes	Show
Dihydro-resveratrol-disulfate	OC1=CC=C(CCC2=CC(OS(O)(=O)=O)=CC(OS(O)(=O)=O)=C2)C=C1	390.007924379	C₁₄H₁₄O₉S₂	Polyphenols	Stilbenes	Show
Dihydro-resveratrol-glucuronide		406.1264	C₂₀H₂₂O₉	Polyphenols	Stilbenes	Show
Dihydro-resveratrol-sulfoglucuronide		486.083	C₂₀H₂₂O₁₂S	Polyphenols	Stilbenes	Show
Dihydro-resveratrol-trisulfate		469.965	C₁₄H₁₄O₁₂S₃	Polyphenols	Stilbenes	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
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	Phenolic acids	Show
Hippuric acid	OC(=O)CNC(=O)C1=CC=CC=C1	179.058243159	C₉H₉NO₃	Polyphenols	Phenolic acids	Show
Hippuric acid	OC(=O)CNC(=O)C1=CC=CC=C1	179.058243159	C₉H₉NO₃	Polyphenols	Phenolic acids	Show
Hippuric acid	OC(=O)CNC(=O)C1=CC=CC=C1	179.058243159	C₉H₉NO₃	Polyphenols	Phenolic acids	Show
Homovanillic acid	COC1=CC(CC(O)=O)=CC=C1O	182.057908808	C₉H₁₀O₄	Polyphenols	Phenolic acids	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
Isorhamnetin	COC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1	316.058302738	C₁₆H₁₂O₇	Polyphenols	Flavonoids	Show
Isorhamnetin 3-O-glucuronide	COC1=C(O)C=CC(=C1)C1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C(=O)C2=C(O)C=C(O)C=C2O1	492.090390726	C₂₂H₂₀O₁₃	Polyphenols	Flavonoids	Show
Isorhamnetin 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(=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1	492.090390726	C₂₂H₂₀O₁₃	Polyphenols	Flavonoids	Show
Isorhamnetin 7-O-glucuronide	COC1=CC(=CC=C1O)C1=C(O)C(=O)C2=C(O)C=C(OC3OC(C(O)C(O)C3O)C(O)=O)C=C2O1	492.090390704	C₂₂H₂₀O₁₃	Polyphenols	Flavonoids	Show
Lunularine	OC1=CC=C(CCC2=CC=CC(O)=C2)C=C1	214.099379691	C₁₄H₁₄O₂	Polyphenols	Stilbenes	Show
Methylquercetin diglucuronide			C₂₈H₂₈O₁₉	Polyphenols	Flavonoids	Show
Naringenin 4'-O-glucuronide	OC1C(O)C(OC2=CC=C(C=C2)C2CC(=O)C3=C(O)C=C(O)C=C3O2)OC(C1O)C(O)=O	448.100561464	C₂₁H₂₀O₁₁	Polyphenols	Flavonoids	Show
Naringenin 7-O-glucuronide	OC1C(O)C(OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC=C(O)C=C2)OC(C1O)C(O)=O	448.100561482	C₂₁H₂₀O₁₁	Polyphenols	Flavonoids	Show
Naringenin O-diglucuronide		624.5095093	C₂₇H₂₈O₁₇	Polyphenols	Flavonoids	Show
Naringenin O-sulfate		352.320095	C₁₅H₁₂O₈S	Polyphenols	Flavonoids	Show
Naringenin O-sulfo-O-glucuronide		528.4459545	C₂₁H₂₀O₁₄S	Polyphenols	Flavonoids	Show
Phenylacetic acid	OC(=O)CC1=CC=CC=C1	136.0524295	C₈H₈O₂	Polyphenols	Phenolic acids	Show
Phloroglucinol	OC1=CC(O)=CC(O)=C1	126.031694058	C₆H₆O₃	Polyphenols	Polyphenol metabolites	Show
Phloroglucinol	OC1=CC(O)=CC(O)=C1	126.031694058	C₆H₆O₃	Polyphenols	Polyphenol metabolites	Show
Piceatannol	OC1=CC(\C=C\C2=CC(O)=C(O)C=C2)=CC(O)=C1	244.073558866	C₁₄H₁₂O₄	Polyphenols	Stilbenes	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 (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 (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	Show
Piceid-glucuronide		566.164	C₂₆H₃₀O₁₄	Polyphenols	Stilbenes	Show
Piceid-glucuronide		566.164	C₂₆H₃₀O₁₄	Polyphenols	Stilbenes	Show
Piceid-sulfate		470.088	C₂₀H₂₂O₁₁S	Polyphenols	Stilbenes	Show
Piceid-sulfate		470.088	C₂₀H₂₂O₁₁S	Polyphenols	Stilbenes	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
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	Show
Quercetin 3'-O-glucuronide	O[C@@H]1[C@@H](O)[C@H](OC2=C(O)C=CC(=C2)C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)O[C@@H]([C@H]1O)C(O)=O	478.074740662	C₂₁H₁₈O₁₃	Polyphenols	Flavonoids	Show
Quercetin 3'-O-sulfate	OC1=CC(O)=C2C(=O)C(O)=C(OC2=C1)C1=CC(OS(O)(=O)=O)=C(O)C=C1	381.99946723	C₁₅H₁₀O₁₀S	Polyphenols	Flavonoids	Show
Quercetin 4'-O-glucuronide	O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C=C2O)C2=C(O)C(=O)C3=C(O2)C=C(O)C=C3O)O[C@@H]([C@H]1O)C(O)=O	478.074740662	C₂₁H₁₈O₁₃	Polyphenols	Flavonoids	Show
Quercetin 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=C3)=C2)O[C@@H]([C@H]1O)C(O)=O	478.07474064	C₂₁H₁₈O₁₃	Polyphenols	Flavonoids	Show
Quercetin 7-O-sulfate	OC1=C(O)C=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(OS(O)(=O)=O)C=C2O1	381.999467696	C₁₅H₁₀O₁₀S	Polyphenols	Polyphenol metabolites	Show
Quercetin diglucuronide			C₂₇H₂₆O₁₉	Polyphenols	Flavonoids	Show
Quercetin glucuronide		478.3663081	C₂₁H₁₈O₁₃	Polyphenols	Flavonoids	Show
Quercetin glucuronide sulfate			C₂₁H₁₈O₁₆S	Polyphenols	Flavonoids	Show
Quercetin sulfate			C₁₅H₁₀O₁₀S	Polyphenols	Flavonoids	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 (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 disulfate		387.992	C₁₄H₁₂O₉S₂	Polyphenols	Polyphenol metabolites	Show
resveratrol glucuronide		404.111	C₂₀H₂₀O₉	Polyphenols	Stilbenes	Show
Resveratrol ribosyl sulfate		440.078	C₁₉H₂₀O₁₀S	Polyphenols	Stilbenes	Show
resveratrol sulfate		308.035	C₁₄H₁₂O₆S	Polyphenols	Stilbenes	Show
resveratrol sulfoglucuronide		484.068	C₂₀H₂₀O₁₂S	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-4′-O-sulfate	OC1=CC(\C=C\C2=CC=C(OS(O)(=O)=O)C=C2)=CC(O)=C1	308.035458806	C₁₄H₁₂O₆S	Polyphenols	Stilbenes	Show
resveratrol-glucoside-phosphate	OC1C(COP(O)(O)=O)OC(OC2=CC=C(\C=C\C3=CC(O)=CC(O)=C3)C=C2)C(O)C1O	470.097798559	C₂₀H₂₃O₁₁P	Polyphenols	Stilbenes	Show
Resveratrol-glucoside-phosphate-glycerol	[H]C(O)(CO)COP(O)(=O)OC[C@@]1([H])OC(OC2=CC=C(\C=C\C3=CC(O)=CC(O)=C3)C=C2)[C@H](O)[C@@H](O)[C@@H]1O	544.134577992	C₂₃H₂₉O₁₃P	Polyphenols	Stilbenes	Show
resveratrol-sulfate		308.0355	C₁₄H₁₂O₆S	Polyphenols	Stilbenes	Show
Resveratroloside	OCC1OC(O)C(O)C(OC2=CC=C(\C=C\C3=CC(O)=CC(O)=C3)C=C2)C1O	390.131467668	C₂₀H₂₂O₈	Polyphenols	Stilbenes	Show
Retinal	[H]C(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C	284.214015518	C₂₀H₂₈O	Terpenoids	Carotenoids	Show
Tomatidine	C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]11CC[C@H](C)CN1	415.345029693	C₂₇H₄₅NO₂	N-containing compounds	Alkaloids	Show
trans-Resveratrol 3-O-glucuronide	O[C@H]1[C@H](OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O	404.110732238	C₂₀H₂₀O₉	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 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-3,4′-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-3,4′,5-trisulfate	OS(=O)(=O)OC1=CC=C(\C=C\C2=CC(OS(O)(=O)=O)=CC(OS(O)(=O)=O)=C2)C=C1	467.949089348	C₁₄H₁₂O₁₂S₃	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-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-β-sulfate	OC1=CC(\C=C\C2=CC=C(OS(O)(=O)=O)C=C2)=CC(O)=C1	308.035458806	C₁₄H₁₂O₆S	Polyphenols	Polyphenol metabolites	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-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
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
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
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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