Exact Mass: 268.0947
Exact Mass Matches: 268.0947
Found 261 metabolites which its exact mass value is equals to given mass value 268.0947,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
3-Hydroxybenzo(a)pyrene
CONFIDENCE standard compound; INTERNAL_ID 45
9-Hydroxybenzo[a]pyrene
9-Hydroxybenzo[a]pyrene, also known as benzo[Def]chrysen-9-ol or 9-hydroxybenzo(a)Pyrene, 3H-labeled, is classified as a member of the Benzopyrenes. Benzopyrenes are organic compounds containing a benzene fused to a pyrene(benzo[def]phenanthrene) ring system. 9-Hydroxybenzo[a]pyrene is considered to be practically insoluble (in water) and acidic
Benzo[a]pyrene-9,10-oxide
This compound belongs to the family of Pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
Benzo[a]pyrene-7,8-oxide
This compound belongs to the family of Pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
Benzo[a]pyrene-4,5-oxide
This compound belongs to the family of Chrysenes. These are compounds containing the polyaromatic chrysene moiety, which consists of a benzene ring fused to a phenanthrene ring system to form Benzo[a]phenanthrene. D009676 - Noxae > D002273 - Carcinogens
2,3-Dihydroxycarbamazepine
2,3-Dihydroxycarbamazepine is a metabolite of carbamazepine. Carbamazepine (CBZ) is an anticonvulsant and mood-stabilizing drug used primarily in the treatment of epilepsy and bipolar disorder, as well as trigeminal neuralgia. (Wikipedia)
Moclobemide
Moclobemide is only found in individuals that have used or taken this drug. It is a reversible monoamine oxidase inhibitor (MAOI) selective for isoform A (RIMA) used to treat major depressive disorder.The mechanism of action of moclobemide involves the selective, reversible inhibition of MAO-A. This inhibition leads to a decrease in the metabolism and destruction of monoamines in the neurotransmitters. This results in an increase in the monoamines, relieving depressive symptoms. N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AG - Monoamine oxidase a inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor
4-Hydroxyphenytoin
4-Hydroxyphenytoin, also known as hydroxyphenytoin or 4-HPPH, belongs to the class of organic compounds known as phenylhydantoins. These are heterocyclic aromatic compounds containing an imiazolidinedione moiety substituted by a phenyl group. 4-Hydroxyphenytoin is a metabolite of the anti-seizure medication phenytoin (PHT) and is excreted in the urine (PMID: 15855726).
Cysteinyl-Phenylalanine
Cysteinyl-Phenylalanine is a dipeptide composed of cysteine and phenylalanine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Phenylalanylcysteine
Phenylalanylcysteine is a dipeptide composed of phenylalanine and cysteine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
3'-HPPH
3-HPPH, also called (5R)-5-(3-hydroxyphenyl)-5-phenylimidazolidine-2,4-dione or 3’-hydroxyphenytoin, is a metabolite of Phenytoin. Phenytoin is an anticonvulsant used to treat epilepsy. 3-HPPH belongs to the family of compounds known as Diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. 3-HPPH or 3’-hydroxyphenytoin is only found in individuals that have used or taken Phenytoin.
Phenytoin arene-oxide
Phenytoin arene-oxide is a metabolite of phenytoin. Phenytoin sodium is a commonly used antiepileptic. Phenytoin acts to suppress the abnormal brain activity seen in seizure by reducing electrical conductance among brain cells by stabilizing the inactive state of voltage-gated sodium channels. Aside from seizures, it is an option in the treatment of trigeminal neuralgia in the event that carbamazepine or other first-line treatment seems inappropriate. It is sometimes considered a class 1b antiarrhythmic. (Wikipedia)
4-O,6-O-Benzylidene-alpha-D-glucopyranose
4,6-benzylidene-d-glucose, also known as benzylidene glucopyranose, is a member of the class of compounds known as pyranodioxins. Pyranodioxins are polycyclic compounds containing a pyranodioxin moiety, which consists of a pyran ring fused to a dioxin ring. 4,6-benzylidene-d-glucose is soluble (in water) and a very weakly acidic compound (based on its pKa). 4,6-benzylidene-d-glucose can be found in fig, which makes 4,6-benzylidene-d-glucose a potential biomarker for the consumption of this food product.
Cedazuridine
1,6,8-Trihydroxy-3,4,5-trimethyl-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid
4-hydroxy-5-(1,2,3-trihydroxy-3-phenylpropyl)oxolan-2-one
6-(tert-butylsulfonyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
3-Ethoxy-5-hydroxy-4-(hydroxymethy1)-7-methoxy-6-methy1-1(3H)-isobenzofuranone|3-O-Ethyl-cyclopolsaeure|3-O-Ethylcyclopolsaeure
methyl 4-methoxy-3-(3-hydroxy-2-methyl)propionyloxy-benzoate
(3S*,4S*)-3,4-dihydro-3,4,8-trihydroxy-7-(1-hydroxyethyl)-6-methoxynaphthalen-1(2H)-one|botryosphaerone A
(3S*,4S*)-3,4-dihydro-3,4,8-trihydroxy-6-methoxy-7-(2-hydroxyethyl)naphthalen-1(2H)-one|botryosphaerone B
2-(1H-Pyrrole-2-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid methyl ester
4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxybenzaldehyde
Di-Me ester-(R)-2-Hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid
Stellarine C
1-acetyl-3-methoxycarbonyl-beta-carboline is a harmala alkaloid. It has a role as a metabolite. 1-Acetyl-3-methoxycarbonyl-beta-carboline is a natural product found in Stellaria dichotoma var. lanceolata with data available. A natural product found in Stellaria dichotoma var. lanceolata.
moclobemide
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AG - Monoamine oxidase a inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor CONFIDENCE standard compound; INTERNAL_ID 2279 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2675
7-(1,2-dihydroxyethyl)-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
C15H12N2O3_3-Isoquinolinecarboxylic acid, 1,2-dihydro-1-oxo-4-(1H-pyrrol-2-yl)-, methyl ester
methyl 1-oxo-4-(1H-pyrrol-2-yl)-2H-isoquinoline-3-carboxylate
Ctrinin hydrate
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE Penicillium improvisum, Penicillium verrucosum
7-(1,2-dihydroxyethyl)-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one [IIN-based: Match]
2,4-Imidazolidinedione, 5-(7-oxabicyclo[4.1.0]hepta-2,4-dien-3-yl)-5-phenyl-
diethyl 2,6-dimethyl-4-oxo-4h-pyran-3,5-dicarboxylate
2-(3-Methoxy-phenyl)-imidazo[1,2-a]pyridine-8-carboxylic acid
2-Chloro-5-Methoxyphenylboronic acid pinacol ester
2-(2-chloro-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
METHYL 5-(4,4,5-TRIMETHYL-[1,3,2]DIOXABOROLAN-2-YL)THIOPHENE-2-CARBOXYLATE
1-[2-AMINO-1-(2-CHLORO-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLICACID
1-[2-AMINO-1-(4-CHLORO-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLICACID
5-(Benzyloxy)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
N,N-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
8-METHOXY-2-METHYL-1-OXO-1,2-DIHYDROBENZO[B]-1,6-NAPHTHYRIDINE-4-CARBALDEHYDE
4-Cyclohexene-1, 2-dicarboxylic acid, mono[2-[(1-oxo-2-propenyl)oxy]-ethyl]ester
Methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxylate
dimethyl 2-[(4-hydroxyphenyl)methyl]-2-methoxypropanedioate
2-Chloro-3-(hydroxymethyl)phenylboronic acid pinacol ester
2-amino-4-ethyl-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
Ethyl 3-cyano-2-oxo-6-phenyl-1,2-dihydropyridine-4-carboxylate
6-ACETYL-2-AMINO-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
2-Methoxycarbonylthiophene-3-boronic acid pinacol ester
1-BENZYL-7-METHYL-1H-PYRIDO[2,3-D][1,3]OXAZINE-2,4-DIONE
1-Benzyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxylic acid
tert-butyl 2-chloro-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate
2-(2-Chloro-3-methoxyphenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
2-(4-(4-CHLOROBUTANOYL)PHENYL)-2-METHYLPROPANOIC ACID
TERT-BUTYL 3-CHLORO-7,8-DIHYDRO-1,6-NAPHTHYRIDINE-6(5H)-CARBOXYLATE
3-oxo-3-(3,4,5-trimethoxyphenyl)propionic acid methyl ester
1-(4,6-Dihydrothieno[3,4-b]thiophen-2-yl)-2-ethylhexan-1-one
3-oxo-3-(2,3,6-trimethoxyphenyl)propionic acid methyl ester
methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate
7-butyl-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione
methyl 2-amino-3-(1H-indol-3-yl)-2-methylpropanoate,hydrochloride
1,2-dihydro-6-hydroxy-4-methyl-2-oxo-5-[(p-tolyl)azo]nicotinonitrile
2-(2-OXO-2-(PIPERIDIN-1-YL)ETHYLTHIO)-6-AMINOPYRIMIDIN-4(1H)-ONE
2-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
1-(PIPERIDIN-4-YL)-1H-BENZO[D][1,3]OXAZIN-2(4H)-ONE HYDROCHLORIDE
3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzenemethanol
(2-chloro-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl)Methanol
5-(6-METHOXYNAPHTHALEN-2-YL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
TERT-BUTYL 2-FORMYL-6,7-DIHYDROTHIAZOLO[5,4-C]PYRIDINE-5(4H)-CARBOXYLATE
Amifostine trihydrate
C26170 - Protective Agent > C2459 - Chemoprotective Agent > C2080 - Cytoprotective Agent D020011 - Protective Agents > D011837 - Radiation-Protective Agents Amifostine trihydrate (WR2721 trihydrate) is a broad-spectrum cytoprotective agent and a radioprotector. Amifostine trihydrate selectively protects normal tissues from damage caused by radiation and chemotherapy. Amifostine trihydrate is potent hypoxia-inducible factor-α1 (HIF-α1) and p53 inducer. Amifostine trihydrate protects cells from damage by scavenging oxygen-derived free radicals. Amifostine trihydrate reduces renal toxicity and has antiangiogenic action[1][2][3][4].
2-(3-Chloro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-(4-Chloro-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Tolpyrramide
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent
1H-Pyrimido[1,2-a]quinoline-2-carboxylic acid, 1-oxo-, ethyl ester
4-Hydroxy-5-(1,2,3-trihydroxy-3-phenylpropyl)oxolan-2-one
5-(4-Hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolane-3-carboxylic acid
globosumone B
A benzoate ester obtained by the formal condensation of o-orsellinic acid with (4S)-1,4-dihydroxypentan-2-one. Isolated from Chaetomium globosum, it exhibits cytotoxic activity towards cancer cell lines.
N-(4-fluorophenyl)-5-methyl-1H-indole-2-carboxamide
5-(2-furanyl)-N-(4-methylphenyl)-3-isoxazolecarboxamide
1-(3-Hydroxy-2,4,4-trimethyl-1-oxido-5-thiophen-2-yl-2-imidazol-1-iumyl)ethanone
7-(1,2-dihydroxyethyl)-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
6-[(1R)-1-hydroxyethyl]phenazine-1-carboxylic acid
5-(4-Hydroxyphenyl)-5-phenylimidazolidine-2,4-dione
(5R)-5-(3-hydroxyphenyl)-5-phenylimidazolidine-2,4-dione
4-Hydroxyphenytoin
A imidazolidine-2,4-dione that consists of hydantoin bearing phenyl and 4-hydroxyphenyl substituents at position 5.
1-feruloyl-sn-glycerol
An enoate ester obtained by formal condensation of the carboxy group of trans-ferulic acid with the 1-hydroxy group of glycerol.
1,4-DPCA ethyl ester
1,4-DPCA ethyl ester is the ethyl ester of 1,4-DPCA and can inhibit factor inhibiting HIF (FIH)[1].
2,3-dihydroxypropyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
(3s,4r,5s)-4-[2,3-dihydroxy-4-(hydroxymethyl)phenyl]-3-hydroxy-5-methyloxan-2-one
4-hydroxy-3-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-5,7,9(16),10(15),11,13-hexaen-2-one
(3s,4s)-4-hydroxy-3-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-5,7,9(16),10(15),11,13-hexaen-2-one
4,8-dihydroxy-4-(1-hydroxyethyl)-6-methoxy-5-methyl-3h-2-benzopyran-1-one
(3s,4s)-3,4,8-trihydroxy-7-(2-hydroxyethyl)-6-methoxy-3,4-dihydro-2h-naphthalen-1-one
methyl 3-[(3-hydroxy-2-methylpropanoyl)oxy]-4-methoxybenzoate
1-o-coumaroylglycerol; (±)-(e)-form,3'-methoxy
{"Ingredient_id": "HBIN002867","Ingredient_name": "1-o-coumaroylglycerol; (±)-(e)-form,3'-methoxy","Alias": "NA","Ingredient_formula": "C13H16O6","Ingredient_Smile": "NA","Ingredient_weight": "268.26","OB_score": "NA","CAS_id": "108026-20-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9141","PubChem_id": "NA","DrugBank_id": "NA"}
