Exact Mass: 317.0542
Exact Mass Matches: 317.0542
Found 220 metabolites which its exact mass value is equals to given mass value 317.0542,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Nilutamide
Nilutamide is an antineoplastic hormonal agent primarily used in the treatment of prostate cancer. Nilutamide is a pure, nonsteroidal anti-androgen with affinity for androgen receptors (but not for progestogen, estrogen, or glucocorticoid receptors). Consequently, Nilutamide blocks the action of androgens of adrenal and testicular origin that stimulate the growth of normal and malignant prostatic tissue. Prostate cancer is mostly androgen-dependent and can be treated with surgical or chemical castration. To date, antiandrogen monotherapy has not consistently been shown to be equivalent to castration. CONFIDENCE standard compound; INTERNAL_ID 279; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4399; ORIGINAL_PRECURSOR_SCAN_NO 4395 CONFIDENCE standard compound; INTERNAL_ID 279; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4426; ORIGINAL_PRECURSOR_SCAN_NO 4421 CONFIDENCE standard compound; INTERNAL_ID 279; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4395; ORIGINAL_PRECURSOR_SCAN_NO 4393 CONFIDENCE standard compound; INTERNAL_ID 279; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4406; ORIGINAL_PRECURSOR_SCAN_NO 4401 CONFIDENCE standard compound; INTERNAL_ID 279; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4403; ORIGINAL_PRECURSOR_SCAN_NO 4401 CONFIDENCE standard compound; INTERNAL_ID 279; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4490; ORIGINAL_PRECURSOR_SCAN_NO 4487 L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BB - Anti-androgens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000726 - Androgen Antagonists C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C146993 - Androgen Receptor Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen D000970 - Antineoplastic Agents
Azinphos-methyl
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor CONFIDENCE standard compound; EAWAG_UCHEM_ID 3655 CONFIDENCE standard compound; INTERNAL_ID 8473 CONFIDENCE standard compound; INTERNAL_ID 2601 D010575 - Pesticides > D007306 - Insecticides D010575 - Pesticides > D056810 - Acaricides D004791 - Enzyme Inhibitors D016573 - Agrochemicals
Norsanguinarine
Norsanguinarine is a member of phenanthridines. Norsanguinarine is a natural product found in Fumaria indica, Corydalis balansae, and other organisms with data available. Norsanguinarine is found in opium poppy. Norsanguinarine is an alkaloid from Papaver rhoeas (corn poppy D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
Lettowianthine
Lettowianthine is found in alcoholic beverages. Lettowianthine is an alkaloid from Annona glabra (pond apple Alkaloid from Annona glabra (pond apple). Lettowianthine is found in alcoholic beverages and fruits.
Petunidin
Petunidin, also known as petunidin chloride (CAS: 1429-30-7), belongs to the class of organic compounds known as 3-O-methylated flavonoids. These are flavonoids with methoxy groups attached to the C3 atom of the flavonoid backbone. Petunidin is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, petunidin has been detected, but not quantified in, several different foods, such as saffrons, french plantains, highbush blueberries, bilberries, and fruits. This could make petunidin a potential biomarker for the consumption of these foods. Petunidin is an anthocyanin. Anthocyanins are water-soluble pigments belonging to the flavonoids compound family that are widespread in nature and involved in numerous functions such as flower, fruit, and seed pigmentation to attract pollinators, seed dispersion, UV light protection, and plant defence against pathogen attack. Because anthocyanins impart much of the colour and flavour of fruits and vegetables, they are usually components of the human diet and are not only considered exclusively as food products but also as therapeutic agents. In fact, anthocyanins have been suggested to protect against oxidative stress, coronary heart diseases, certain cancers, and other age-related diseases. At least part of these presumed health-promoting features can be attributed to the antioxidant properties of these compounds whose chemical structure appears ideal for free radical scavenging (PMID: 16277406). BioTransformer predicts that petunidin is a product of peonidin metabolism via a hydroxylation-of-benzene-ortho-to-edg reaction catalyzed by the CYP1A2, CYP2C9, and CYP3A4 enzymes (PMID: 30612223). Isolated from bilberries (Vaccinium myrtillus), giant granadilla (Passiflora quadrangularis), Amonum subulatum (Nepal cardamon) and other plantsand is also found in red table wine and red wine vinegar. Glycosides also widely distributed
N2-Monodes-methylnizatidine
N2-Monodes-methylnizatidine is a metabolite of nizatidine. Nizatidine is a histamine H2-receptor antagonist that inhibits stomach acid production, and commonly used in the treatment of peptic ulcer disease (PUD) and gastroesophageal reflux disease (GERD). It was developed by Eli Lilly and is marketed under the brand names Tazac and Axid. (Wikipedia)
2,3,4-Tri-O-acetylarabinopyranosyl isothiocyanate
2-Amino-9-(6-sulfanylidene-3H-purin-9-yl)-3H-purine-6-thione
N-2-Mdmn
4-Amino-5-hydroxymethyl-2-methylpyrimidine diphosphate
4-amino-5-hydroxymethyl-2-methylpyrimidine diphosphate is a member of the class of compounds known as organic pyrophosphates. Organic pyrophosphates are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O. 4-amino-5-hydroxymethyl-2-methylpyrimidine diphosphate can be found in swede, which makes 4-amino-5-hydroxymethyl-2-methylpyrimidine diphosphate a potential biomarker for the consumption of this food product.
1-{3-[(4-chlorophenyl)sulfonyl]-2-hydroxypropyl}-2-pyrrolidinone
2-{2-[4-(3,5-Dimethyl-1H-pyrazol-1-yl)phenyl]hydrazono}-2-(methylsulfonyl)acetonitrile
Methyl 2-cyano-3-(2-morpholino-5-nitrophenyl)acrylate
(2S)-a-amino-6-[1-(4-bromo-1H-pyrrole-2-ylmethanoyl)amino]hexanoic acid|4-bromopyrrole-2-carboxy-N(epsilon)-lysine
9(10H)-Acridinone, 1,4,5-trihydroxy-3,6-dimethoxy-10-methyl-
1, 3, 5-trihydroxy-2, 4-dimethoxy-10-methyl-10H-acridin-9-one|citruscridone
2-(4-oxo-1-beta-D-ribofuranosyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-acetamide|2-Thiouridin-5-essigsaeureamid|5-carbamoylmethyl-2-thiouridine
2,3-Dimethoxy-10-methyl-1,5,6-trihydroxyacridin-9(10H)-one
petunidin
Acquisition and generation of the data is financially supported in part by CREST/JST.
1,3,6-trihydroxy-4,5-dimethoxy-10-methylacridin-9-one
Annobraine
5,6-Dihydro-8,9-dimethoxypyrrolo[2,1-a]isoquinoline-2,3-dicarboxylic acid
3-[[2-(5-nitropyridin-2-yl)oxyacetyl]amino]benzoic acid
2-quinolin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol
N-(3-chlorophenyl)-4-(2-chloropyridin-4-yl)-1,3,5-triazin-2-amine
5-[(3,5-dimethoxybenzoyl)amino]-2-hydroxybenzoic acid
tert-Butyl 2-bromo-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate
1-(4-(4-Nitro-3-(trifluoromethyl)phenyl)piperazin-1-yl)ethanone
2-quinolin-4-yl-1-[4-(trifluoromethyl)phenyl]ethanol
Methyl 4-(4-(Bis(2-Chloroethyl)Amino)Phenyl)Butyrate
tert-Butyl 3-(((trifluoromethyl)sulfonyl)oxy)-2,5-dihydro-1H-pyrrole-1-carboxylate
5-BROMOMETHYL-3-METHYL-1H-PYRROLE-2,4-DICARBOXYLIC ACID DIETHYL ESTER
Pyrrolidine, 1-[(5-bromo-2-methylphenyl)sulfonyl]-2-methyl-
2,5-DIOXOPYRROLIDIN-1-YL 7-METHOXY-2-OXO-2H-CHROMENE-3-CARBOXYLATE
Ethyl 4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
METHYL 5-([[5-(TRIFLUOROMETHYL)-2-PYRIDYL]THIO]METHYL)-2-FUROATE
2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-1,3-thiazole-4-carboxylic acid
3,3-bis(methylthio)-2-[3-(trifluoromethyl)benzoyl]acrylonitrile
2(3H)-Benzothiazolethione,3-[[(3-nitrophenyl)amino]methyl]-
2,4-DICHLORO-6,7,8,9-TETRAHYDRO-5H-PYRIMIDO[4,5-D]AZEPINE
2-[(4-Methylphenyl)sulfonyl]-5-isoindolinecarboxylic acid
1H-Pyrrolo[2,3-b]pyridine, 1-[(4-methylphenyl)sulfonyl]-4-nitro-
Benzoic acid, 4-[(3,5-dimethoxybenzoyl)amino]-2-hydroxy-
tert-butyl 4-[4-(chloromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
4-(3-METHOXYPROPYL)-5-[4-(TRIFLUOROMETHYL)PHENYL]-4H-1,2,4-TRIAZOLE-3-THIOL
TERT-BUTYL 1-BROMO-6,7-DIHYDROTHIENO[3,4-C]PYRIDINE-5(4H)-CARBOXYLATE
3-(4-Chlorophenyl)-3-(2-phenylacetamido)propanoic acid
1,7-DIPHENYL-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE
Dabuzalgron
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist Dabuzalgron (Ro 115-1240) is an orally active and selective α-1A adrenergic receptor agonist for the treatment of urinary incontinence. Dabuzalgron protects against Doxorubicin-induced cardiotoxicity by preserving mitochondrial function[1].
8-CHLORO-1-(2-FLUORO-6-METHOXYPHENYL)-3H-BENZO[C]AZEPIN-5(4H)-ONE
8-Chloro-6,7-difluoro-1-((1R,2S)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
ethyl 4-hydroxy-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
2-[(6-NITRO-1,1-DIOXO-2,3-DIHYDRO-1H-1-BENZOTHIOPHEN-3-YL)SULFANYL]ACETOHYDRAZIDE
2-chloro-4-(naphthyl-2-yl)-6-phenyl-1,3,5-triazine
2-Chloro-4-(naphthalen-1-yl)-6-phenyl-1,3,5-triazine
rac 6-Chloro-1,4-dihydro-4-(1-pentynyl)-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one
(4S)-6-Chloro-4-[(E)-2-cyclopropylvinyl]-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one
Poly [[(S)-1-(4-nitrophenyl)-2-pyrrolidinemethyl]acrylate]
2-PHENYL-3-(4-NITROPHENYL)-5-METHYLTETRAZOLIUM CHLORIDE
2-(4-chlorophenyl)7-methyl-5-oxo-2-phenyl-5H-imidazo1,2-aüpyrimidin-8(5H)-ylüacetic acid
5-[(4-Chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
TERT-BUTYL 2,4-DICHLORO-5,6,8,9-TETRAHYDROPYRIMIDO[4,5-D]AZEPINE-7-CARBOXYLATE
Ethyl 6-(2-nitrophenyl)imidazo[2,1-b]thiazole-3-carboxylate
6-methoxy-N-(4-methoxyphenyl)quinazolin-4-amine,hydrochloride
tert-Butyl 3-bromo-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate
N-[(3S)-1-Chloro-5-methyl-2-oxohexan-3-yl]-4-methylbenzene-1-sulfonamide
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetohydrazide
4-Amino-2-(phenacylthio)-5-pyrimidinecarboxylic acid ethyl ester
1-[(2-Chlorophenyl)methylideneamino]-3-(2-phenylethyl)thiourea
(5Z)-3-ethyl-5-[(2-methyl-2H-chromen-3-yl)methylene]-2-thioxo-thiazolidin-4-one
5-[3-[(4-methylphenyl)methoxy]-2-thiophenyl]-3-(methylthio)-1H-1,2,4-triazole
N-(1,3-benzodioxol-5-yl)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carboxamide
2-(2-Deoxy-beta-D-erythro-pentofuranosyl)-7-hydroxypyrimido(1,6-a)benzimidazol-1(2H)-one
4-Sulfonamide-[4-(thiomethylaminobutane)]benzamide
5-(6-Amino-9h-Purin-9-Yl)-4-Hydroxytetrahydrofuran-3-Yl Dihydrogen Phosphate
Myricetin(1-)
A flavonol oxoanion that is the conjugate base of myricetin, arising from selective deprotonation of the 3-hydroxy group; major species at pH 7.3.
2-(3,4-dihydroxyphenyl)-3,5,8-trihydroxy-4-oxo-4H-chromen-7-olate
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(2-nitrophenyl)sulfanyloxane-3,4,5-triol
2-(3,4-Dihydroxyphenyl)-3,6,7-trihydroxy-4-oxochromen-5-olate
N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]acetamide
3-Methyl-2-[2-(4-methyl-5-thiazolyl)ethylthio]-4-quinazolinone
N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide
2-methyl-4-(trifluoromethyl)-5-thiazolecarbothioic acid S-(4-methylphenyl) ester
1-[4-[2-Nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-phenylpropanamide
methyl 5-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
methyl 5-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
3-chloro-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-1-benzothiophene-2-carboxamide
2-[[2-furanyl(oxo)methyl]hydrazo]-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide
4-Chloro-2-[[oxo-(4-propan-2-ylphenyl)methyl]amino]benzoic acid
N-(furan-2-ylmethyl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
(8E)-8-[(2-fluoroanilino)hydrazinylidene]-1,3-dimethylpurine-2,6-dione
5-(2-Chlorophenyl)-7-(dihydroxyamino)-1,3-dihydro-1,4-benzodiazepin-2-one
N-[2-[(2Z)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
N-(3-chloro-4-methylphenyl)-2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]acetamide
nilutamide
L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BB - Anti-androgens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000726 - Androgen Antagonists C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C146993 - Androgen Receptor Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen D000970 - Antineoplastic Agents
Azinphos-methyl
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D010575 - Pesticides > D056810 - Acaricides D004791 - Enzyme Inhibitors D016573 - Agrochemicals
gossypetin(1-)
A flavonoid oxoanion obtained by deprotonation of the 7-hydroxy group of gossypetin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
gossypetin-3-olate
The conjugate base of gossypetin arising from selective deprotonation of the hydroxy group at the 3-position; major species at pH 7.3.
LY456236
LY456236 is a selective, non-competitive and orally active mGlu1 receptor antagonist that inhibits phosphoinositide hydrolysis with an IC50 of 0.145 μM. LY456236 also inhibits EGFR with an IC50 of 0.91 μM[1][3].
(4ar,7s)-6,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-5-methoxy-4a,7-dihydro-1λ⁴-chromen-1-ylium
atalafoline b
{"Ingredient_id": "HBIN017264","Ingredient_name": "atalafoline b","Alias": "NA","Ingredient_formula": "C16H15NO6","Ingredient_Smile": "CN1C2=C(C=CC(=C2O)OC)C(=O)C3=C1C(=C(C=C3O)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1954","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
