Exact Mass: 368.1042
Exact Mass Matches: 368.1042
Found 212 metabolites which its exact mass value is equals to given mass value 368.1042,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
3-Feruloylquinic acid
3-Feruloylquinic acid (3-FQA) (CAS: 1899-29-2) belongs to the class of organic compounds known as quinic acids and derivatives. Quinic acids and derivatives are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. Coffee, especially green or raw coffee, is a major source of chlorogenic acids (CGA). CGAs have been associated with a range of health benefits including a reduction in the risk of cardiovascular disease, diabetes type 2, and Alzheimers disease. Major CGAs in coffee include 3-, 4-, and 5-feruloylquinic acids (PMID: 19022950). 3-FQA has been detected in the plasma and urine of humans who have ingested coffee (PMID: 19460943). 3-FQA is also found in chicory, tomatoes (Lycopersicon esculentum), and sunflowers (Helianthus annuus). 3-O-feruloyl-D-quinic acid is a quinic acid that is the 3-O-feruloyl derivative of D-quinic acid. It has a role as a plant metabolite. It is a quinic acid and an enoate ester. It is functionally related to a (-)-quinic acid and a ferulic acid. 3-O-Feruloylquinic acid is a natural product found in Astragalus onobrychis, Astragalus arguricus, and other organisms with data available. 5-feruloylquinic acid, also known as O-feruloylquinate, belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. 5-feruloylquinic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 5-feruloylquinic acid can be found in a number of food items such as sweet cherry, apricot, redcurrant, and peach (variety), which makes 5-feruloylquinic acid a potential biomarker for the consumption of these food products. . 3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2]. 3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2].
[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]alanine
5-Feruloylquinic acid
5-Feruloylquinic acid (5-FQA) (CAS: 40242-06-6) belongs to the class of organic compounds known as quinic acids and derivatives. Quinic acids and derivatives are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. Coffee, especially green or raw coffee, is a major source of chlorogenic acids (CGA). CGAs have been associated with a range of health benefits including a reduction in the risk of cardiovascular disease, diabetes type 2, and Alzheimers disease. Major CGAs in coffee include 3-, 4-, and 5-feruloylquinic acids (PMID: 19022950). 5-FQA has been detected in the plasma and urine of humans who have ingested coffee (PMID: 19460943). 3-feruloylquinic acid belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. 3-feruloylquinic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 3-feruloylquinic acid can be found in a number of food items such as carrot, peach (variety), apricot, and pear, which makes 3-feruloylquinic acid a potential biomarker for the consumption of these food products. . 3-Feruloylquinic acid is a quinic acid. 3-Feruloylquinic acid is a natural product found in Astragalus onobrychis, Coffea, and other organisms with data available. 5-Feruloylquinic acid (5-FQA) possesses antioxidative effects and tyrosinase inhibitory activities[1]. 5-Feruloylquinic acid (5-FQA) possesses antioxidative effects and tyrosinase inhibitory activities[1].
3-O-Caffeoyl-4-O-methylquinic acid
3-O-Caffeoyl-4-O-methylquinic acid is found in green vegetables. It is a constituent of Phyllostachys edulis (moso bamboo). Constituent of Phyllostachys edulis (moso bamboo). 3-O-Caffeoyl-4-O-methylquinic acid is found in green vegetables. 3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2]. 3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2].
3-O-Caffeoyl-1-O-methylquinic acid
3-O-Caffeoyl-1-O-methylquinic acid is found in green vegetables. It is a constituent of Phyllostachys edulis (moso bamboo). Constituent of Phyllostachys edulis (moso bamboo). 3-O-Caffeoyl-1-O-methylquinic acid is found in green vegetables.
4-Feruloylquinic acid
4-Feruloylquinic acid (4-FQA) (CAS: 2613-86-7) belongs to the class of organic compounds known as quinic acids and derivatives. Quinic acids and derivatives are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. Coffee, especially green or raw coffee, is a major source of chlorogenic acids (CGA). CGAs have been associated with a range of health benefits including a reduction in the risk of cardiovascular disease, diabetes type 2, and Alzheimers disease. Major CGAs in coffee include 3-, 4-, and 5-feruloylquinic acids (PMID: 19022950). 4-FQA has been detected in the plasma and urine of humans who have ingested coffee (PMID: 19460943). 4-feruloylquinic acid, also known as O-feruloylquinate, belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. 4-feruloylquinic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 4-feruloylquinic acid can be found in a number of food items such as european plum, peach (variety), jostaberry, and apricot, which makes 4-feruloylquinic acid a potential biomarker for the consumption of these food products.
5-(3'-Hydroxyphenyl)-γ-valerolactone 3'-glucuronide
5-(4’-hydroxyphenyl)-γ-valerolactone 4'-glucuronide
Phenoxomethylpenicilloyl
Feruloylquinic acid
Feruloylquinic acid is also known as feruloylquinate. Feruloylquinic acid is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Feruloylquinic acid can be found in barley and corn, which makes feruloylquinic acid a potential biomarker for the consumption of these food products.
E6GC3KV7JK
3-O-caffeoylquinic acid methyl ester is a quinic acid. Methyl chlorogenate is a natural product found in Centaurea bracteata, Lonicera japonica, and other organisms with data available. See also: Manilkara zapota fruit (part of). 3-O-Caffeoylquinic acid methyl ester is a chemical constituent of Pyrrosia calvata[1]. 3-O-Caffeoylquinic acid methyl ester is a chemical constituent of Pyrrosia calvata[1].
3-Caffeoylquinic acid methyl ester
3-O-Caffeoylquinic acid methyl ester is a chemical constituent of Pyrrosia calvata[1]. 3-O-Caffeoylquinic acid methyl ester is a chemical constituent of Pyrrosia calvata[1].
[4-acetyloxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
5,7-dihydroxy-3-ethylchromone-7-O-beta-D-glucoside|takanechromone B
6-Methoxy-7-O-??-D-(4-methoxy) glucopyranosyl coumarin
2-hydroxy-3-O-trans-feruloyl-1,2-propanedicarboxylic acid dimethyl ester
feruloylquinic acid
4-Feruloylquinic acid may be a potential biomarker for food products[1].
9-O-[6-O-acetyl-beta-D-glucopyranosyl]-4-hydroxycinnamic acid
4-O-beta-D-Glucopyranoside-6-(2,4-Dihydroxyphenyl)-5,6-dihydro-2H-pyran-2-one
8-beta-D-glucopyranosyloxy-4-methoxy-5-methylcoumarin
O-Feruloylquinate
4-O-feruloylquinic acid is an organic molecular entity. 4-O-feruloyl-D-quinic acid is a natural product found in Coptis japonica and Coffea canephora with data available. 4-Feruloylquinic acid may be a potential biomarker for food products[1].
Diclofenac Diethylamine
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
5-O-Caffeoylquinic acid methyl ester
3-O-Caffeoylquinic acid methyl ester is a chemical constituent of Pyrrosia calvata[1]. 3-O-Caffeoylquinic acid methyl ester is a chemical constituent of Pyrrosia calvata[1].
methyl (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate
[4-acetyloxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
1,3,5-trihydroxy-4-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
3-Feruloylquinic acids
3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2]. 3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2].
3-O-Feruloylquinic acid
3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2]. 3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2].
4-Feruloylquinic acid
4-Feruloylquinic acid may be a potential biomarker for food products[1].
5-O-Feruloylquinic acid
5-Feruloylquinic acid (5-FQA) possesses antioxidative effects and tyrosinase inhibitory activities[1]. 5-Feruloylquinic acid (5-FQA) possesses antioxidative effects and tyrosinase inhibitory activities[1].
3-Feruloylquinic acid
3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2]. 3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2].
C17H20O9_(1R,3R,4S,5R)-1,3,4-Trihydroxy-5-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}cyclohexanecarboxylic acid
C17H20O9_5-Benzofuranpropanoic acid, 6-(beta-D-glucopyranosyloxy)
C17H20O9_Cyclohexanecarboxylic acid, 1,3,5-trihydroxy-4-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (1alpha,3alpha,4alpha,5beta)
(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
Feruloyl quinic acid (isomer of 887, 888)
Annotation level-3
Feruloyl quinic acid (isomer of 886, 888)
Annotation level-2
Feruloyl quinic acid (isomer of 886, 887)
Annotation level-3
[4-acetyloxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based: Match]
[4-acetyloxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based on: CCMSLIB00000847875]
(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid_major
(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid_21.8\\%
3-Ferulylquinic acid
3-O-Caffeoyl-1-O-methylquinic acid
3-O-Caffeoyl-4-O-methylquinic acid
1,3,5-Trihydroxy-4-{[(2E)-3-(3-hydroxy-4-methoxyphenyl)-2-propenoyl]oxy}cyclohexanecarboxylic acid
4-acetoxy-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl (E)-3-(4-hydroxyphenyl)acrylate
(3S)-1-Iodo-3-(tert-butyldimethylsilyloxy)-1-octene
1-BOC-3-[(2-BROMOBENZYL-AMINO)-METHYL]-PYRROLIDINE
1-BOC-3-[(3-BROMOBENZYL-AMINO)-METHYL]-PYRROLIDINE
1-BOC-3-[(4-BROMOBENZYL-AMINO)-METHYL]-PYRROLIDINE
1-BOC-3-([2-(4-BROMO-PHENYL)-ETHYLAMINO]-METHYL)-AZETIDINE
1-BOC-3-[2-(3-BROMO-PHENYL)-ETHYLAMINO]-PYRROLIDINE
1-BOC-3-[2-(4-BROMO-PHENYL)-ETHYLAMINO]-PYRROLIDINE
1-Methyl-2-phenyl-3-(benzothiazol-2-ylazo)-1H-indole
carbanide,hafnium(4+),5-methylcyclopenta-1,3-diene
N-[6-(1H-indol-4-yl)naphthalen-2-yl]thiophene-3-carboxamide
N-[6-(1H-indol-5-yl)naphthalen-2-yl]thiophene-3-carboxamide
N-[6-(1H-indol-6-yl)naphthalen-2-yl]thiophene-3-carboxamide
4-(1,3-benzodioxol-5-yl)-5-(3-ethyl-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxylic acid
4-Aminomethyl-4-(4-bromo-phenyl)-piperidine-1-carboxylic acid tert-butyl ester
benzene-1,3-dicarboxylic acid,2,2-dimethylpropane-1,3-diol,furan-2,5-dione
3-(4-propan-2-ylphenyl)sulfonyl-1H-triazolo[1,5-a]quinazolin-5-one
N-(1,3-benzodioxol-5-yl)-3-[(2-methoxy-1-oxoethyl)amino]-2-benzofurancarboxamide
(2R,4S)-5,5-dimethyl-2-[(1R)-2-oxidanyl-2-oxidanylidene-1-(2-phenoxyethanoylamino)ethyl]-1,3-thiazolidine-4-carboxylic acid
4-(1,3-Benzodioxol-5-YL)-5-(5-ethyl-2,4-dihydroxyphenyl)-2H-pyrazole-3-carboxylic acid
N-Hydroxy-5-[(3-Phenyl-5,6-Dihydroimidazo[1,2-A]pyrazin-7(8h)-Yl)carbonyl]thiophene-2-Carboxamide
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-hydroxy-2-(1H-indol-3-yl)ethanimidothioate
5-(4-Hydroxyphenyl)-gamma-valerolactone 4-glucuronide
[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl] 1,3,4,5-tetrahydroxycyclohexane-1-carboxylate
(-)-6-((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxytetrahydro-2H-pyran-2-yloxy)-8-hydroxy-3-methyl-1H-isochromen-1-one
A natural product found in Conoideocrella tenuis.
3-[(4-methoxyphenoxy)methyl]-N-(4-nitro-1-pyrazolyl)benzamide
5-[[(5-Ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]methyl]-2-furancarboxylic acid methyl ester
N-[4-[[1-(2-furanylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]phenyl]acetamide
3-[(2-chlorophenyl)methyl]-N-(2-fluorophenyl)-5-methyl-7-triazolo[4,5-d]pyrimidinamine
8-allyl-9-(propylthio)-5,8-dihydronaphtho[2,1:4,5]thieno[2,3-d]pyrimidin-7(6H)-one
(3R)-3-(4-chlorophenyl)-4-oxo-3-propan-2-yldiazetidine-1,2-dicarboxylic acid diethyl ester
1,3,5-trihydroxy-4-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
2-(3-Nitrophenyl)-4,5-dioxo-1-phenyl-3-pyrrolidinecarboxylic acid ethyl ester
(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
2-butan-2-yl-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxybutanedioic acid
Methyl (1S,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate
[2-[(E)-3-(1-Benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] benzoate
5-O-(E)-FeruloylquinicAcid
3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2]. 3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2].
(E)-3-(3,4-Dihydroxyphenyl)acrylic acid (1R,2R,3R)-2,3,5-trihydroxy-5-(methoxycarbonyl)cyclohexyl ester
(1S,3S,4S,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2]. 3-Feruloylquinic acid, a derivative of quinic acid-bound phenolic acid, shows antioxidant activity. 3-Feruloylquinic acid markedly enhances by high photosynthetically active radiation (PAR) and UV irradiances[1][2].
ochratoxin B(1-)
A monocarboxylic acid anion that is the conjugate base of ochratoxin B resulting from the deprotonation of the carboxy group; Major microspecies at pH 7.3.
5-(3-hydroxyphenyl)-gamma-valerolactone-3-O-beta-D-glucuronide
A butan-4-olide that is 5-(3-hydroxyphenyl)-gamma-valerolactone in which the phenolic hydrogen has been replaced by a beta-D-glucuronyl residue
3-O-feruloyl-D-quinic acid
A quinic acid that is the 3-O-feruloyl derivative of D-quinic acid.
2-hydroxy-11-(2-methylprop-1-en-1-yl)-10-oxapentacyclo[10.8.1.0³,⁸.0⁹,²¹.0¹⁴,¹⁹]henicosa-1,3(8),4,6,9(21),11,14,16,18-nonaene-13,20-dione
methyl (1r,3s,4s,5s)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylate
1,4-dimethyl (2s)-2-hydroxy-2-({[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)butanedioate
(8e)-14-chloro-5,11,13-trihydroxy-4,5,9-trimethyl-1,4,6,7-tetrahydro-3-benzoxacyclododecine-2,10-dione
6-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-5,6-dihydropyran-2-one
3-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxy-1-methoxycyclohexane-1-carboxylic acid
methyl (1s,3r,4s,5r)-4-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3,5-trihydroxycyclohexane-1-carboxylate
(3r,5r)-1,3,5-trihydroxy-4-{[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
1,3,5-trihydroxy-4-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
methyl (3r,4r,5r)-3-{[(2z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylate
methyl 1-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4,5-trihydroxycyclohexane-1-carboxylate
3- Ferulylquinic acid
{"Ingredient_id": "HBIN008543","Ingredient_name": "3- Ferulylquinic acid","Alias": "NA","Ingredient_formula": "C17H20O9","Ingredient_Smile": "COC1=C(C=C(C=C1)C=CC(=O)OC2CC(CC(C2O)O)(C(=O)O)O)O","Ingredient_weight": "368.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33990","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "131751068","DrugBank_id": "NA"}
