Exact Mass: 340.0845
Exact Mass Matches: 340.0845
Found 161 metabolites which its exact mass value is equals to given mass value 340.0845,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Aesculin
Esculin is a hydroxycoumarin that is the 6-O-beta-D-glucoside of esculetin. It has a role as an antioxidant and a metabolite. It is a beta-D-glucoside and a hydroxycoumarin. It is functionally related to an esculetin. Esculin is found in barley. Vitamin C2 is generally considered a bioflavanoid, related to vitamin P esculin is a glucoside that naturally occurs in the horse chestnut (Aesculus hippocastanum), California Buckeye (Aesculus californica) and in daphnin (the dark green resin of Daphne mezereum). Esculin belongs to the family of Glycosyl Compounds. These are carbohydrate derivatives in which a sugar group is bonded through its anmoeric carbonA to another group via a C-, S-,N-,O-, or Se- glycosidic bond. Esculin is a natural product found in Ficus septica, Gardenia jasminoides, and other organisms with data available. A derivative of COUMARIN with molecular formula C15H16O9. See also: Horse Chestnut (part of); Aesculus hippocastanum bark (part of). Aesculin is found in barley. Vitamin C2 is generally considered a bioflavanoid, related to vitamin P Aesculin is a glucoside that naturally occurs in the horse chestnut (Aesculus hippocastanum), California Buckeye (Aesculus californica) and in daphnin (the dark green resin of Daphne mezereum) Vitamin C2 is generally considered a bioflavanoid, related to vitamin P A hydroxycoumarin that is the 6-O-beta-D-glucoside of esculetin. Acquisition and generation of the data is financially supported in part by CREST/JST. Esculin, a fluorescent coumarin glucoside, is an active ingredient of ash bark[1]. Esculin ameliorates cognitive impairment in experimental diabetic nephropathy (DN), and exerts anti?oxidative stress and anti?inflammatory effects, via the MAPK signaling pathway[2]. Esculin, a fluorescent coumarin glucoside, is an active ingredient of ash bark[1]. Esculin ameliorates cognitive impairment in experimental diabetic nephropathy (DN), and exerts anti?oxidative stress and anti?inflammatory effects, via the MAPK signaling pathway[2].
Daphnin
Daphnin is a beta-D-glucoside. It is functionally related to a 7,8-dihydroxycoumarin. Daphnin is a natural product found in Stellera chamaejasme, Daphne gnidium, and other organisms with data available. Daphnin is one of the major coumarin bioactive components with antibacterial activity. Daphnin is isolated from the whole herb of Daphne odora (Thunb.), which is a folk medicine in China for the relief of fever[1][2].
Cichoriin
Cichoriin is a glycoside and a member of coumarins. Cichoriin is a natural product found in Koelpinia linearis, Cichorium intybus, and other organisms with data available. Isolated from chicory (Cichorium intybus). Cichoriin is found in chicory and green vegetables. Cichoriin is found in chicory. Cichoriin is isolated from chicory (Cichorium intybus Cichoriin is an active compounds against SARS-CoV-2, and may be a potential candidate in researching severe COVID-19[1]. Cichoriin is an active compounds against SARS-CoV-2, and may be a potential candidate in researching severe COVID-19[1].
Sinapoyl malate
Annotation level-2 Acquisition and generation of the data is financially supported in part by CREST/JST.
Vulgaxanthin II
Yellow pigment from beetroot (Beta vulgaris). Vulgaxanthin II is found in red beetroot, common beet, and root vegetables. Vulgaxanthin II is found in common beet. Vulgaxanthin II is a yellow pigment from beetroot (Beta vulgaris
Sulindac Sulfide
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents
Sulindac sulfide
Sulindac sulfide is a metabolite of sulindac. Sulindac is a non-steroidal anti-inflammatory drug of the arylalkanoic acid class that is marketed in the UK & U.S. by Merck as Clinoril. (Wikipedia) C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents
6-{2-[(1E)-2-carboxyeth-1-en-1-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[3-(2-carboxyeth-1-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[3-(2-carboxyeth-1-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3-(3-hydroxyphenyl)prop-2-enoic acid. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
O-Coumaric acid glucuronide
p-Coumaric acid glucuronide
Talviraline
Daphnetin glucoside
Daphnetin glucoside is a member of the class of compounds known as coumarin glycosides. Coumarin glycosides are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety. Daphnetin glucoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Daphnetin glucoside can be found in coriander, which makes daphnetin glucoside a potential biomarker for the consumption of this food product.
Glutamic acid-betaxanthin
Benzene-1,2,3,5-tetracarboxylic acid, 4-methoxy, tetramethyl ester
5-hydroxy-8-O-beta-D-glucopyranosyl-2H-1-benzopyran-2-one
(3R,6R)-1N-norgliovictin|bisdethiodi(methylthio)-1-demethylhyalodendrin
5,7-dihydroxychromone 7-beta-D-glucoside|5,7-dihydroxychromone 7-O-beta-D-glucopyranoside|5,7-dihydroxychromone-7-O-beta-D-glucopyranoside|5-hydroxychromone-7-O-glucoside
3-[(4-hydroxyphenyl)methyl]-1,4-dimethyl-3,6-bis(methylthio)-2,5-piperazinedione|cis-1,4-Dimethyl-3,6-bis(methylthio)-3-(4-hydroxyphenylmethyl)-2,5-piperazinedione
5,7-dihydroxucoumarin-7-O-beta-D-glucopyranoside|5,7-dihydroxycoumarin 7-O-beta-D-glucopyranoside
Esculin
Origin: Plant; Formula(Parent): C15H16O9; Bottle Name:Esculin sesquihydrate; PRIME Parent Name:6,7-Dihydroxycoumarin-6-glucoside; PRIME in-house No.:V0125, Coumarins relative retention time with respect to 9-anthracene Carboxylic Acid is 0.391 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.385 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.384 Esculin, a fluorescent coumarin glucoside, is an active ingredient of ash bark[1]. Esculin ameliorates cognitive impairment in experimental diabetic nephropathy (DN), and exerts anti?oxidative stress and anti?inflammatory effects, via the MAPK signaling pathway[2]. Esculin, a fluorescent coumarin glucoside, is an active ingredient of ash bark[1]. Esculin ameliorates cognitive impairment in experimental diabetic nephropathy (DN), and exerts anti?oxidative stress and anti?inflammatory effects, via the MAPK signaling pathway[2].
5,7-Dihydroxycoumarin 7-O-β-D-glucopyranoside
5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one is a natural product found in Morus alba var. multicaulis, Morus alba, and Morus nigra with data available.
7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
7-hydroxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one [IIN-based on: CCMSLIB00000847487]
7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one [IIN-based: Match]
1-[2-(4-nitrophenyl)ethyl]-1-azoniabicyclo[2.2.2]octane,bromide
tert-Butyl 2-(3-bromophenyl)piperazine-1-carboxylate
Talviraline
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
2-(Trifluoromethyl)-1,3-bis-(dimethylamino)-trimethinium hexafluorophosphate
2-methyl-5-(4-methylsulfonylphenyl)-4-phenylpyridazin-3-one
3-(2-BROMO-BENZYLAMINO)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-(4-(3-Bromopropoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-[2-(4-phenylmethoxyanilino)-1,3-thiazol-4-yl]acetic acid
3-(3-BROMO-BENZYLAMINO)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-(4-BROMO-BENZYLAMINO)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-(4-BROMO-PHENYLAMINO)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1H-quinoxaline
2-(3-Bromo-5-isopropoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
tert-Butyl 4-(2-bromophenyl)piperazine-1-carboxylate
tert-butyl 4-(3-bromophenyl)piperazine-1-carboxylate
5-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrazole-3-carbohydrazide
3-(3-BROMO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-(3-Bromo-5-propoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1-(2-methoxyphenyl)-4-(3-chloropropyl)piperazine dihydrochloride
4-[(E)-2-Carboxyethenyl]phenyl beta-D-glucopyranosiduronic acid
4-(4-ethoxyanilino)-5-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3H-1,3-thiazol-2-one
1,3-Benzodioxol-5-yl-[2-(phenylmethylthio)-4,5-dihydroimidazol-1-yl]methanone
(3r)-3-(Fluoromethyl)-N-(3,3,3-Trifluoropropyl)-1,2,3,4-Tetrahydroisoquinoline-7-Sulfonamide
Escosyl
Esculin, a fluorescent coumarin glucoside, is an active ingredient of ash bark[1]. Esculin ameliorates cognitive impairment in experimental diabetic nephropathy (DN), and exerts anti?oxidative stress and anti?inflammatory effects, via the MAPK signaling pathway[2]. Esculin, a fluorescent coumarin glucoside, is an active ingredient of ash bark[1]. Esculin ameliorates cognitive impairment in experimental diabetic nephropathy (DN), and exerts anti?oxidative stress and anti?inflammatory effects, via the MAPK signaling pathway[2].
20853-56-9
Cichoriin
Cichoriin is a glycoside and a member of coumarins. Cichoriin is a natural product found in Koelpinia linearis, Cichorium intybus, and other organisms with data available. Cichoriin is an active compounds against SARS-CoV-2, and may be a potential candidate in researching severe COVID-19[1]. Cichoriin is an active compounds against SARS-CoV-2, and may be a potential candidate in researching severe COVID-19[1].
Methyl N-(4-methoxyphenyl)-[3-(trifluoromethyl)anilino]methanimidothioate
7-hydroxy-6-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
6-(2-amino-2-carboxyethyl)-7-hydroxy-8-oxo-2,3,4,7-tetrahydro-1H-quinoline-2,4-dicarboxylic acid
6-[3-(2-carboxyeth-1-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
4-[4-[(Z)-2-carboxyethenyl]-2,6-dimethoxyphenoxy]-3-hydroxy-4-oxobutanoic acid
1-(5-Tert-butyl-2-methyl-3-pyrazolyl)-3-(3,5-dichlorophenyl)urea
7-hydroxy-6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-2-one
1-[4-(3,4-dihydroxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone
2-[[2-(Phenoxymethyl)-4-quinazolinyl]thio]acetic acid methyl ester
1H-indazole-3-carboxylic acid [2-(4-nitroanilino)-2-oxoethyl] ester
5-bromo-N-[(4-tert-butylcyclohexylidene)amino]-2-furancarboxamide
2-(2,4-dioxo-3-phenyl-5-thiazolidinyl)-N-(3-methylphenyl)acetamide
(3S)-3-(4-chlorophenyl)-4-oxo-3-propan-2-yldiazetidine-1,2-dicarboxylic acid dimethyl ester
6-[2-(3-Ormyloxiran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
(S)-2-((3-(4-Hydroxy-3,5-dimethoxyphenyl)acryloyl)oxy)succinic acid
2-[3-(4-Hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]butanedioic acid
BAM 15
BAM 15 is a mitochondrial protonophore uncoupler. BAM 15 is an oxidative phosphorylation (OXPHOS) uncoupler[1].
CP-809101 (hydrochloride)
CP-809101 hydrochloride is a potent and highly selective 5-HT2C receptor agonist, with pEC50s of 9.96, 7.19 and 6.81 M for human 5HT2C, 5HT2B and 5HT2A receptor. CP-809101 hydrochloride inhibits conditioned avoidance responding in rats and antagonizes both PCP (phencyclidine hydrochloride)- and d-amphetamine-induced hyperactivity. CP-809101 hydrochloride also reduces food and nicotine dependence in rats, can be used in studies of antipsychotic and nicotine dependence[1][2].
2-(3,4-dihydroxy-5-oxooxolan-2-yl)-2-hydroxyethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
5,7-dihydroxy-6-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-one
3-[(4-hydroxyphenyl)methyl]-1,4-dimethyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione
(2s)-4-[(1e)-2-{[(1s)-1,3-dicarboxypropyl]amino}ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
5-hydroxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
7-hydroxy-8-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
5-hydroxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
2-hydroxy-2-(hydroxymethyl)butanedioic acid,9ci; (ξ)-form,1'-o-(4-hydroxy-3-methoxy-e-cinnamoyl)
{"Ingredient_id": "HBIN005726","Ingredient_name": "2-hydroxy-2-(hydroxymethyl)butanedioic acid,9ci; (\u03be)-form,1'-o-(4-hydroxy-3-methoxy-e-cinnamoyl)","Alias": "NA","Ingredient_formula": "C15H16O9","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8627","PubChem_id": "NA","DrugBank_id": "NA"}
3,5,7-trihydroxy-4h-1-benzopyran-4-one,9ci; 3-o-alpha-l-rhamnopyranoside
{"Ingredient_id": "HBIN007582","Ingredient_name": "3,5,7-trihydroxy-4h-1-benzopyran-4-one,9ci; 3-o-alpha-l-rhamnopyranoside","Alias": "NA","Ingredient_formula": "C15H16O9","Ingredient_Smile": "NA","Ingredient_weight": "340.28","OB_score": "NA","CAS_id": "72021-22-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8262","PubChem_id": "NA","DrugBank_id": "NA"}
