PhytoHub: Showing entry for Lettuce

Lettuce

Group:: Vegetables, Leaf vegetables

Identification

Name: Lettuce
Food group: Vegetables, Leaf vegetables

External Links

ITIS: 36607
FooDB (Foods): 95

Compounds

Name	Structure	Monoisotopic mass	Formula	Family	Class
Deoxylactucin (8-)	CC1=C2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3CC1)C(CO)=CC2=O	260.104858995	C₁₅H₁₆O₄	Terpenoids	Sesquiterpenoids	Publications	Show
Lactucin	CC1=C2C(C3OC(=O)C(=C)C3C(O)C1)C(CO)=CC2=O	276.099773615	C₁₅H₁₆O₅	Terpenoids	Sesquiterpenoids	Publications	Show
Lactupicrin	CC1=C2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3[C@H](C1)OC(=O)CC1=CC=C(O)C=C1)C(CO)=CC2=O	410.136553048	C₂₃H₂₂O₇	Terpenoids	Sesquiterpenoids	Publications	Show
Phytol	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CO	296.307915908	C₂₀H₄₀O	Terpenoids	Diterpenoids	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
Lactucaxanthin	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/[C@H]1C(C)=C[C@H](O)CC1(C)C	568.428031043	C₄₀H₅₆O₂	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
Violaxanthin	C\C(\C=C\C=C(/C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C	600.417860283	C₄₀H₅₆O₄	Terpenoids	Carotenoids	Publications	Show
Zeaxanthin	C\C(\C=C\C=C(/C)\C=C\C1=C(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
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
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
Coumaric acid (m-)	OC(=O)\C=C\C1=CC=CC(O)=C1	164.047344122	C₉H₈O₃	Polyphenols	Phenolic acids	Publications	Show
Dihydrocaffeic acid	OC(=O)CCC1=CC=C(O)C(O)=C1	182.057908808	C₉H₁₀O₄	Polyphenols	Phenolic acids	Publications	Show
Caftaric acid	OC(C(OC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O)C(O)=O	312.048131982	C₁₃H₁₂O₉	Polyphenols	Phenolic acids	Publications	Show
Putrescine	NCCCCN	88.100048394	C₄H₁₂N₂	N-containing compounds	Amines	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
Cyanidin 3-O-(6''-malonyl-glucoside)	O[C@H]1[C@H](O)[C@@H](COC(=O)CC([O-])=O)OC(OC2=C(OC3=CC(=O)C=C(O)C3=C2)C2=CC(O)=C(O)C(O)=C2)[C@@H]1O	549.088045002	C₂₄H₂₁O₁₅	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
Luteolin 7-O-glucuronide	O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C(O)=C2)O[C@@H]([C@H]1O)C(O)=O	462.07982604	C₂₁H₁₈O₁₂	Polyphenols	Flavonoids	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
Quercetin 3-O-(6"-malonyl-glucoside)	OC1C(O)C(COC(=O)CC(O)=O)OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C1O	550.095870034	C₂₄H₂₂O₁₅	Polyphenols	Flavonoids	Publications	Show
Isoquercitrin	OC[C@H]1O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O	464.095476104	C₂₁H₂₀O₁₂	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
Quercitrin	C[C@H]1O[C@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@H]1O	448.100561464	C₂₁H₂₀O₁₁	Polyphenols	Flavonoids	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
Phylloquinone	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC1=C(C)C(=O)C2=C(C=CC=C2)C1=O	450.349780716	C₃₁H₄₆O₂	Terpenoids	Diterpenoids	Publications	Show

Related Metabolites

Name	Structure	Monoisotopic mass	Formula	Family	Class
1,3,5-trihydroxybenzene	OC1=CC(O)=CC(O)=C1	126.031694058	C₆H₆O₃	Polyphenols	Polyphenol metabolites	Show
2-Hydroxy-4-methoxybenzoic acid	COC1=CC(O)=C(C=C1)C(O)=O	168.042258744	C₈H₈O₄	Polyphenols	Flavonoids	Show
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-(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-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-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'-Hydroxyphenylacetic acid	OC(=O)CC1=CC(O)=CC=C1	152.047344122	C₈H₈O₃	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-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-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-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-Hydroxyhippuric acid	OC(=O)CNC(=O)C1=CC=C(O)C=C1	195.053157781	C₉H₉NO₄	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
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
Coumaric acid (m-)	OC(=O)\C=C\C1=CC=CC(O)=C1	164.047344122	C₉H₈O₃	Polyphenols	Phenolic acids	Show
Coumaric acid glucuronide (m-)		340.2869145	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
Dihydrocaffeic acid	OC(=O)CCC1=CC=C(O)C(O)=C1	182.057908808	C₉H₁₀O₄	Polyphenols	Phenolic acids	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
Dihydrocaffeic acid-4'-O-glucuronide	O[C@@H]1[C@@H](O)C(OC2=C(O)C=C(CCC(O)=O)C=C2)O[C@@H]([C@H]1O)C(O)=O	358.08999678	C₁₅H₁₈O₁₀	Polyphenols	Phenolic acids	Show
Dihydrocaffeic acid-4'-sulfate	OC(=O)CCC1=CC(O)=C(OS(O)(=O)=O)C=C1	262.014723836	C₉H₁₀O₇S	Polyphenols	Phenolic acids	Show
Dihydroferulic acid	COC1=C(O)C=CC(CCC(O)=O)=C1	196.073558872	C₁₀H₁₂O₄	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-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
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
Hydroxyphytanic acid (alpha-)	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C(O)C(O)=O	328.297745148	C₂₀H₄₀O₃	Terpenoids	Diterpenoids	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'-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 glucuronide		491.4289566	C₂₃H₂₃O₁₂	Polyphenols	Flavonoids	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
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-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
Methylquercetin diglucuronide			C₂₈H₂₈O₁₉	Polyphenols	Flavonoids	Show
Methylvanillate	COC(=O)C1=CC(OC)=C(O)C=C1	182.057908808	C₉H₁₀O₄	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 glucuronide		491.4289566	C₂₃H₂₃O₁₂	Polyphenols	Flavonoids	Show
Phloroglucinaldehyde	OC1=CC(O)=C(C=O)C(O)=C1	154.026608673	C₇H₆O₄	Polyphenols	Flavonoids	Show
Phytanic acid	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)CC(O)=O	312.302830528	C₂₀H₄₀O₂	Terpenoids	Diterpenoids	Show
Phytenic acid (3-methylene)	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(=C)CC(O)=O	310.287180464	C₂₀H₃₈O₂	Terpenoids	Diterpenoids	Show
Phytenic acid (cis-delta 2-)	[H]\C(C(O)=O)=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C	310.287180464	C₂₀H₃₈O₂	Terpenoids	Diterpenoids	Show
Phytenic acid (cis-delta 3-)	[H]\C(CC[C@H](C)CCC[C@H](C)CCCC(C)C)=C(/C)CC(O)=O	310.287180464	C₂₀H₃₈O₂	Terpenoids	Diterpenoids	Show
Phytenic acid (trans-delta 2-)	[H]\C(C(O)=O)=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C	310.287180464	C₂₀H₃₈O₂	Terpenoids	Diterpenoids	Show
Phytenic acid (trans-delta 3-)	[H]\C(CC[C@H](C)CCC[C@H](C)CCCC(C)C)=C(\C)CC(O)=O	310.287180464	C₂₀H₃₈O₂	Terpenoids	Diterpenoids	Show
Pristanic acid	CC(C)CCCC(C)CCCC(C)CCCC(C)C(O)=O	298.287180464	C₁₉H₃₈O₂	Terpenoids	Diterpenoids	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-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
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
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
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

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