PhytoHub: Showing entry for Lettuce

Lettuce

Group:: Vegetables, Leaf vegetables

Identification

Name: Lettuce
ID: 89
Food group: Vegetables, Leaf vegetables

Synonyms

No Synonyms

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)=CC(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	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](C)C(C)C	400.370516166	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(O)=CC=C1	164.047344118	C₉H₈O₃	Polyphenols	Phenolic acids	Publications	Show
Dihydrocaffeic acid	OC(=O)CCC1=CC(O)=C(O)C=C1	182.057908802	C₉H₁₀O₄	Polyphenols	Phenolic acids	Publications	Show
Caftaric acid	[H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(=O)OC(C(O)C(O)=O)C(O)=O	312.048131966	C₁₃H₁₂O₉	Polyphenols	Phenolic acids	Publications	Show
Putrescine	NCCCCN	88.100048394	C₄H₁₂N₂	N-containing compounds	Amines	Publications	Show
5-O-Caffeoylquinic acid	[H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(=O)OC1CC(O)(CC(O)C1O)C(O)=O	354.09508216	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	549.088593556	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	[H][C@@]1(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(O)=C(O)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O	462.07982602	C₂₁H₁₈O₁₂	Polyphenols	Flavonoids	Publications	Show
Quercetin	OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1	302.042652662	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	550.095870008	C₂₄H₂₂O₁₅	Polyphenols	Flavonoids	Publications	Show
Isoquercitrin	OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O	464.095476084	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	478.07474064	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=C1C=CC=C2	160.100048394	C₁₀H₁₂N₂	N-containing compounds	Amines	Publications	Show
Tryptophan	NC(CC1=CNC2=C1C=CC=C2)C(O)=O	204.089877634	C₁₁H₁₂N₂O₂	N-containing compounds	Amino acids	Publications	Show
Phylloquinone	CC(C)CCCC(C)CCCC(C)CCCC(C)=CCC1=C(C)C(=O)C2=CC=CC=C2C1=O	450.349780721	C₃₁H₄₆O₂	Terpenoids	Diterpenoids	Publications	Show
11beta,13-dihydrolactucopicrin	[H][C@@]1(C)C(=O)O[C@]2([H])[C@@]3([H])C(CO)=CC(=O)C3=C(C)C[C@]([H])(OC(=O)CC3=CC=C(O)C=C3)[C@@]12[H]	412.152203113	C₂₃H₂₄O₇	Terpenoids	Sesquiterpenoids	Publications	Show
Lactuside A	[H]\C1=C(\CC[C@@]2([H])[C@]([H])(C)C(=O)O[C@]2([H])\C([H])=C(C)\[C@]([H])(C1)O[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O)C=O	426.188982546	C₂₁H₃₀O₉	Terpenoids	Sesquiterpenoids	Publications	Show
Lettucenin A	CC1=C2CCC(=C)C2=C2OC(=O)C(C=O)=C2C=C1	240.078644246	C₁₅H₁₂O₃	Terpenoids	Sesquiterpenoids	Publications	Show
Hexahydrolactucin			C₁₅H₂₂O₅	Terpenoid metabolites	Sesquiterpenoid metabolites	Publications	Show
Tetrahydrolactucin			C₁₅H₂₀O₅	Terpenoids	Sesquiterpenoids	Publications	Show
Tetrahydrolactucopicrin			C₂₃H₂₆O₇	Terpenoids	Sesquiterpenoids	Publications	Show

Related Metabolites

Name	Structure	Monoisotopic mass	Formula	Family	Class
Dihydrolactucopicrin-sulfate			C₂₃H₂₄O₁₀S	Terpenoid metabolites	Sesquiterpenoid metabolites	Show
Dihydrolactucopicrin-glucuronide			C₂₉H₃₂O₁₃	Terpenoid metabolites	Sesquiterpenoid metabolites	Show
11beta,13-dihydrolactucopicrin	[H][C@@]1(C)C(=O)O[C@]2([H])[C@@]3([H])C(CO)=CC(=O)C3=C(C)C[C@]([H])(OC(=O)CC3=CC=C(O)C=C3)[C@@]12[H]	412.152203113	C₂₃H₂₄O₇	Terpenoids	Sesquiterpenoids	Show
Tetrahydrolactucopicrin			C₂₃H₂₆O₇	Terpenoids	Sesquiterpenoids	Show
Tetrahydrolactucopicrin glucuronide			C₂₉H₃₄O₁₃	Terpenoid metabolites	Sesquiterpenoid metabolites	Show
3-Hydroxybenzoic acid	OC(=O)C1=CC(O)=CC=C1	138.031694053	C₇H₆O₃	(Poly)phenol metabolites	Phenolic acid metabolites	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	180.042258738	C₉H₈O₄	Polyphenols	Phenolic acids	Show
5-O-Caffeoylquinic acid	[H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(=O)OC1CC(O)(CC(O)C1O)C(O)=O	354.09508216	C₁₆H₁₈O₉	Polyphenols	Phenolic acids	Show
Dihydrocaffeic acid	OC(=O)CCC1=CC(O)=C(O)C=C1	182.057908802	C₉H₁₀O₄	Polyphenols	Phenolic acids	Show
Ferulic acid	COC1=C(O)C=CC(\C=C\C(O)=O)=C1	194.057908802	C₁₀H₁₀O₄	Polyphenols	Phenolic acids	Show
Isoferulic acid	COC1=C(O)C=C(\C=C\C(O)=O)C=C1	194.057908802	C₁₀H₁₀O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
3-(3'-Hydroxyphenyl)propionic acid	OC(=O)CCC1=CC(O)=CC=C1	166.062994182	C₉H₁₀O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
3-Hydroxyhippuric acid	OC(=O)CNC(=O)C1=CC=CC(O)=C1	195.053157774	C₉H₉NO₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Hippuric acid	OC(=O)CNC(=O)C1=CC=CC=C1	179.058243154	C₉H₉NO₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Benzoic acid	OC(=O)C1=CC=CC=C1	122.036779433	C₇H₆O₂	Polyphenols	Phenolic acids	Show
3-(3'-Hydroxyphenyl)propionic acid	OC(=O)CCC1=CC(O)=CC=C1	166.062994182	C₉H₁₀O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Retinal	C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=O	284.214015522	C₂₀H₂₈O	Terpenoids	Carotenoids	Show
3-Hydroxyhippuric acid	OC(=O)CNC(=O)C1=CC=CC(O)=C1	195.053157774	C₉H₉NO₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Coumaric acid-3'-glucuronide	O[C@H]1[C@H](OC2=CC(\C=C\C(O)=O)=CC=C2)O[C@@H]([C@@H](O)[C@H]1O)C(O)=O	340.079432095	C₁₅H₁₆O₉	Polyphenols	Phenolic acids	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	549.088593556	C₂₄H₂₁O₁₅	Polyphenols	Flavonoids	Show
3-Hydroxybenzoic acid	OC(=O)C1=CC(O)=CC=C1	138.031694053	C₇H₆O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
p-Hydroxybenzoic acid	OC(=O)C1=CC=C(O)C=C1	138.031694053	C₇H₆O₃	Polyphenols	Phenolic acids	Show
Protocatechuic acid	OC(=O)C1=CC(O)=C(O)C=C1	154.026608673	C₇H₆O₄	Polyphenols	Phenolic acids	Show
Vanillic acid	COC1=CC(=CC=C1O)C(O)=O	168.042258738	C₈H₈O₄	Polyphenols	Phenolic acids	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	Show
3',4'-Dihydroxyphenylacetic acid	OC(=O)CC1=CC(O)=C(O)C=C1	168.042258738	C₈H₈O₄	Polyphenols	Phenolic acids	Show
p-Hydroxybenzaldehyde	OC1=CC=C(C=O)C=C1	122.036779433	C₇H₆O₂	Polyphenols	Phenolic acids	Show
4'-Hydroxyphenylacetic acid	OC(=O)CC1=CC=C(O)C=C1	152.047344118	C₈H₈O₃	Polyphenols	Phenolic acids	Show
Caffeic acid	OC(=O)\C=C\C1=CC(O)=C(O)C=C1	180.042258738	C₉H₈O₄	Polyphenols	Phenolic acids	Show
Ferulic acid	COC1=C(O)C=CC(\C=C\C(O)=O)=C1	194.057908802	C₁₀H₁₀O₄	Polyphenols	Phenolic acids	Show
Hippuric acid	OC(=O)CNC(=O)C1=CC=CC=C1	179.058243154	C₉H₉NO₃	(Poly)phenol metabolites	Phenolic acid metabolites	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
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
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	(Poly)phenol metabolites	Flavonoid metabolites	Show
2-Hydroxy-4-methoxybenzoic acid	COC1=CC(O)=C(C=C1)C(O)=O	168.042258738	C₈H₈O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Protocatechualdehyde	OC1=CC=C(C=O)C=C1O	138.031694053	C₇H₆O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
4-Methoxybenzaldehyde	COC1=CC=C(C=O)C=C1	136.052429498	C₈H₈O₂	Polyphenols	Flavonoids	Show
Cyanidin 3-glucoside glucuronide		639.5444741	C₂₈H₃₁O₁₇	(Poly)phenol metabolites	Flavonoid metabolites	Show
Cyanidin glucuronide		477.4019678	C₂₂H₂₁O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	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	(Poly)phenol metabolites	Flavonoid metabolites	Show
Isopeonidin glucuronide		491.4289566	C₂₃H₂₃O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
Isovanillic acid	COC1=CC=C(C=C1O)C(O)=O	168.042258738	C₈H₈O₄	(Poly)phenol metabolites	Phenolic acid metabolites	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	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Isovanillic acid-3-O-sulfate	COC1=C(OS(O)(=O)=O)C=C(C=C1)C(O)=O	247.999073772	C₈H₈O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	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	(Poly)phenol metabolites	Flavonoid metabolites	Show
Methylcyanidin glucuronide		491.4289566	C₂₃H₂₃O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
Methylvanillate	COC(=O)C1=CC(OC)=C(O)C=C1	182.057908802	C₉H₁₀O₄	Polyphenols	Flavonoids	Show
Peonidin 3-glucoside glucuronide		653.5714628	C₂₉H₃₃O₁₇	(Poly)phenol metabolites	Flavonoid metabolites	Show
Peonidin glucuronide		491.4289566	C₂₃H₂₃O₁₂	(Poly)phenol metabolites	Flavonoid metabolites	Show
Phloroglucinaldehyde	OC1=CC(O)=C(C=O)C(O)=C1	154.026608673	C₇H₆O₄	(Poly)phenol metabolites	Phenolic acid metabolites	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	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Protocatechuic acid-3-O-sulfate	OC(=O)C1=CC(OS(O)(=O)=O)=C(O)C=C1	233.983423707	C₇H₆O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	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	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Protocatechuic acid-4-O-sulfate	OC(=O)C1=CC(O)=C(OS(O)(=O)=O)C=C1	233.983423707	C₇H₆O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Vanillic acid 4-O-glucuronide	COC1=CC=C(C=C1OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O	344.074346715	C₁₄H₁₆O₁₀	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Vanillic acid-4-O-sulfate	COC1=C(OS(O)(=O)=O)C=CC(=C1)C(O)=O	247.999073772	C₈H₈O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Deoxylactucin (8-)	CC1=C2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3CC1)C(CO)=CC2=O	260.104858995	C₁₅H₁₆O₄	Terpenoids	Sesquiterpenoids	Show
8-Deoxylactucin glucuronide	CC1=C2C(C3OC(=O)C(=C)C3CC1)C(COC1OC(C(O)C(O)C1O)C(O)=O)=CC2=O	436.136946973	C₂₁H₂₄O₁₀		Not Available	Show
8-Deoxylactucin 15-sulfate	CC1=C2C(C3OC(=O)C(=C)C3CC1)C(COS(O)(=O)=O)=CC2=O	340.061674029	C₁₅H₁₆O₇S		Not Available	Show
Vanillic acid	COC1=CC(=CC=C1O)C(O)=O	168.042258738	C₈H₈O₄	Polyphenols	Phenolic acids	Show
Isoferulic acid	COC1=C(O)C=C(\C=C\C(O)=O)C=C1	194.057908802	C₁₀H₁₀O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
3-(3'-Hydroxyphenyl)propionic acid	OC(=O)CCC1=CC(O)=CC=C1	166.062994182	C₉H₁₀O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Dihydroferulic acid	COC1=CC(CCC(O)=O)=CC=C1O	196.073558866	C₁₀H₁₂O₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Ferulic acid-4'-sulfate	COC1=C(OS(O)(=O)=O)C=CC(\C=C\C(O)=O)=C1	274.014723836	C₁₀H₁₀O₇S	(Poly)phenol metabolites	Phenolic acid 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	(Poly)phenol metabolites	Phenolic acid metabolites	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	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Dihydrocaffeic acid-4'-sulfate	OC(=O)CCC1=CC(O)=C(OS(O)(=O)=O)C=C1	262.014723836	C₉H₁₀O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Isoferulic acid-3'-sulfate	[H]\C(=C(\[H])C1=CC(OS(O)(=O)=O)=C(OC)C=C1)C(O)=O	274.014723836	C₁₀H₁₀O₇S	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Hexahydrolactucin glucuronide			C₂₁H₃₀O₁₁	Terpenoid metabolites	Sesquiterpenoid metabolites	Show
Hexahydrolactucin sulfate			C₁₅H₂₂O₈S	Terpenoid metabolites	Sesquiterpenoid metabolites	Show
Isoquercitrin	OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O	464.095476084	C₂₁H₂₀O₁₂	Polyphenols	Flavonoids	Show
Lactucin	CC1=C2C(C3OC(=O)C(=C)C3C(O)C1)C(CO)=CC2=O	276.099773615	C₁₅H₁₆O₅	Terpenoids	Sesquiterpenoids	Show
Lactucin sulfate			C₁₅H₁₆O₈S	Terpenoid metabolites	Sesquiterpenoid metabolites	Show
Lactucin glucuronide			C₂₁H₂₄O₅	Terpenoid metabolites	Sesquiterpenoid metabolites	Show
Phylloquinone	CC(C)CCCC(C)CCCC(C)CCCC(C)=CCC1=C(C)C(=O)C2=CC=CC=C2C1=O	450.349780721	C₃₁H₄₆O₂	Terpenoids	Diterpenoids	Show
2-methyl-3-(5'-carboxy-3'-methyl-2'-pentenyl)-1,4-naphthoquinone	CC(CCC(O)=O)=CCC1=C(C)C(=O)C2=CC=CC=C2C1=O	298.12050906	C₁₈H₁₈O₄	Terpenoid metabolites	Diterpenoid metabolites	Show
2-methyl-3-(3'-3'-carboxymethylpropyl)-1,4-naphthoquinone	CC(CCC1=C(C)C(=O)C2=C(C=CC=C2)C1=O)C(O)=O	272.104858995	C₁₆H₁₆O₄	Terpenoid metabolites	Diterpenoid metabolites	Show
Phytanic acid	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)CC(O)=O	312.302830528	C₂₀H₄₀O₂	Terpenoid metabolites	Diterpenoid metabolites	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	Terpenoid metabolites	Diterpenoid metabolites	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	Terpenoid metabolites	Diterpenoid metabolites	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	Terpenoid metabolites	Diterpenoid metabolites	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	Terpenoid metabolites	Diterpenoid metabolites	Show
Phytenic acid (3-methylene)	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(=C)CC(O)=O	310.287180464	C₂₀H₃₈O₂	Terpenoid metabolites	Diterpenoid metabolites	Show
Hydroxyphytanic acid (alpha-)	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C(O)C(O)=O	328.297745148	C₂₀H₄₀O₃	Terpenoid metabolites	Diterpenoid metabolites	Show
Pristanic acid	CC(C)CCCC(C)CCCC(C)CCCC(C)C(O)=O	298.287180464	C₁₉H₃₈O₂	Terpenoid metabolites	Diterpenoid metabolites	Show
Benzoic acid	OC(=O)C1=CC=CC=C1	122.036779433	C₇H₆O₂	Polyphenols	Phenolic acids	Show
Protocatechuic acid	OC(=O)C1=CC(O)=C(O)C=C1	154.026608673	C₇H₆O₄	Polyphenols	Phenolic acids	Show
3',4'-Dihydroxyphenylacetic acid	OC(=O)CC1=CC(O)=C(O)C=C1	168.042258738	C₈H₈O₄	Polyphenols	Phenolic acids	Show
4-Ethylphenol	CCC1=CC=C(O)C=C1	122.073164942	C₈H₁₀O	Polyphenols	Phenolic acids	Show
4'-Hydroxyphenylacetic acid	OC(=O)CC1=CC=C(O)C=C1	152.047344118	C₈H₈O₃	Polyphenols	Phenolic acids	Show
Phloretic acid	OC(=O)CCC1=CC=C(O)C=C1	166.062994182	C₉H₁₀O₃	Polyphenols	Phenolic acids	Show
Homovanillic acid	COC1=CC(CC(O)=O)=CC=C1O	182.057908802	C₉H₁₀O₄	Polyphenols	Phenolic acids	Show
Isorhamnetin	COC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1	316.058302726	C₁₆H₁₂O₇	Polyphenols	Flavonoids	Show
Isorhamnetin 3-O-glucuronide	[H][C@@]1(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(OC)=C(O)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O	492.090390704	C₂₂H₂₀O₁₃	(Poly)phenol metabolites	Flavonoid metabolites	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	478.07474064	C₂₁H₁₈O₁₃	Polyphenols	Flavonoids	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	Show
3'-Hydroxyphenylacetic acid	OC(=O)CC1=CC(O)=CC=C1	152.047344118	C₈H₈O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Phloroglucinol	OC1=CC(O)=CC(O)=C1	126.031694053	C₆H₆O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
2,4,6-Trihydroxybenzoic acid	OC(=O)C1=C(O)C=C(O)C=C1O	170.021523293	C₇H₆O₅	(Poly)phenol metabolites	Phenolic acid metabolites	Show
2-Methoxyphenylacetic acid	COC1=CC=CC=C1CC(O)=O	166.062994182	C₉H₁₀O₃	(Poly)phenol metabolites	Phenolic acid metabolites	Show
4-Ethylbenzoic acid	CCC1=CC=C(C=C1)C(O)=O	150.068079562	C₉H₁₀O₂	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Isorhamnetin 7-O-glucuronide	COC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(OC3OC(C(O)C(O)C3O)C(O)=O)C=C2O1	492.090390704	C₂₂H₂₀O₁₃	(Poly)phenol metabolites	Flavonoid metabolites	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	478.07474064	C₂₁H₁₈O₁₃	(Poly)phenol metabolites	Flavonoid metabolites	Show
Quercetin 4'-O-glucuronide	OC1C(O)C(OC2=CC=C(C=C2O)C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)OC(C1O)C(O)=O	478.07474064	C₂₁H₁₈O₁₃	(Poly)phenol metabolites	Flavonoid metabolites	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	(Poly)phenol metabolites	Flavonoid metabolites	Show
Quercetin glucuronide		478.3663081	C₂₁H₁₈O₁₃	(Poly)phenol metabolites	Flavonoid metabolites	Show
3-Hydroxyhippuric acid	OC(=O)CNC(=O)C1=CC=CC(O)=C1	195.053157774	C₉H₉NO₄	(Poly)phenol metabolites	Phenolic acid metabolites	Show
Quercetin diglucuronide			C₂₇H₂₆O₁₉	(Poly)phenol metabolites	Flavonoid metabolites	Show
Methylquercetin diglucuronide			C₂₈H₂₈O₁₉	(Poly)phenol metabolites	Flavonoid metabolites	Show
Quercetin glucuronide sulfate			C₂₁H₁₈O₁₆S	(Poly)phenol metabolites	Flavonoid metabolites	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	492.090390704	C₂₂H₂₀O₁₃	(Poly)phenol metabolites	Flavonoid metabolites	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	381.999467696	C₁₅H₁₀O₁₀S	(Poly)phenol metabolites	Flavonoid metabolites	Show
Quercetin sulfate			C₁₅H₁₀O₁₀S	(Poly)phenol metabolites	Flavonoid metabolites	Show
4-Hydroxyhippuric acid	OC(=O)CNC(=O)C1=CC=C(O)C=C1	195.053157774	C₉H₉NO₄	(Poly)phenol metabolites	Phenolic acid metabolites	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	(Poly)phenol metabolites	Flavonoid metabolites	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	478.07474064	C₂₁H₁₈O₁₃	Polyphenols	Flavonoids	Show
Isorhamnetin	COC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1	316.058302726	C₁₆H₁₂O₇	Polyphenols	Flavonoids	Show
Isorhamnetin 4'-O-glucoside	COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1	478.111126148	C₂₂H₂₂O₁₂	Polyphenols	Flavonoids	Show
Tamarixetin	COC1=C(O)C=C(C=C1)C1OC2=CC(O)=CC(O)=C2C(=O)C1O	318.073952791	C₁₆H₁₄O₇	Polyphenols	Flavonoids	Show
Tetrahydrolactucin-glucuronide			C₂₁H₂₈O₁₁	Terpenoid metabolites	Sesquiterpenoid metabolites	Show
Tetrahydrolactucin sulfate			C₁₅H₂₀O₈S	Terpenoid metabolites	Sesquiterpenoid metabolites	Show
Tetrahydrolactucopicrin glucuronide			C₂₉H₃₄O₁₃	Terpenoid metabolites	Sesquiterpenoid metabolites	Show
Xanthurenic acid	OC(=O)C1=CC(O)=C2C=CC=C(O)C2=N1	205.037507709	C₁₀H₇NO₄	Miscellaneous phytochemicals	Miscellaneous phytochemicals	Show

Biomarkers of intake

No Biomarkers of intake found

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