Exact Mass: 231.0496
Exact Mass Matches: 231.0496
Found 437 metabolites which its exact mass value is equals to given mass value 231.0496,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(S)-2-acetamido-6-oxopimelic acid
(S)-2-acetamido-6-oxopimelic acid is an oxo dicarboxylic acid, a N-acyl-amino acid and a dicarboxylic fatty acid. It is functionally related to a (S)-2-amino-6-oxopimelic acid. It is a conjugate acid of a (S)-2-acetamido-6-oxopimelate(2-).
N2-Succinyl-L-glutamic acid 5-semialdehyde
N2-Succinyl-L-glutamic acid 5-semialdehyde is a substrate for Succinate semialdehyde dehydrogenase (mitochondrial) and Ornithine aminotransferase (mitochondrial). It can be found in Escherichia (UniProt). N2-Succinyl-L-glutamic acid 5-semialdehyde is a substrate for Succinate semialdehyde dehydrogenase (mitochondrial) and Ornithine aminotransferase (mitochondrial). [HMDB]
4-acetaminophen sulfate
Paracetamol sulfate, also known as paracetamol sulfuric acid or 4-acetaminophen sulfate, is classified as a phenylsulfate. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. Paracetamol sulfate is considered a slightly soluble (in water), acidic compound. Paracetamol sulfate is a metabolite of paracetamol, a common drug used for the relief of pain as an antipyretic. After paracetamol is absorbed from the gastrointestinal tract, it forms paracetamol sulfate by conjugation with sulfuric acid. Paracetamol sulfate can be found in both plasma and urine (PMID: 15127815).
Benzeneacetamide-4-O-sulphate
Benzeneacetamide-4-O-sulphate is a conjugate of benzeneacetamide and sulphate.
HPAA sulfate
N-(2-Hydroxyphenyl)acetamide sulfate (HPAA sulfate) is a benzoxazinoid metabolite. It is a potential plasma biomarker of whole grain intake (PMID: 24812068).
(+/-)-(E)-Methyl-2-[(E)-hydroxyimino]-5-nitro-6-methoxy-3-hexeneamide
2,5-Dioxopyrrolidin-1-yl 2-(acetylthio)acetate
Methaniazide
C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
L-Proline, 1-(2-methyl-3-(methylthio)-1-oxopropyl)-, (S)-
5-(3-Aminopropylphosphanyloxy)-2-(hydroxymethyl)pyran-4-one
D020011 - Protective Agents > D000975 - Antioxidants
indole-3-acetyl-glycine
Indole-3-acetyl-glycine is also known as iaa-gly. Indole-3-acetyl-glycine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-glycine can be found in a number of food items such as pistachio, red rice, star anise, and redcurrant, which makes indole-3-acetyl-glycine a potential biomarker for the consumption of these food products.
5-hydroxy-5-(1H-indol-3-yl)imidazolidine-2,4-dione
Acetic acid [2-methyl-4-oxoquinolin-1(4H)-yl]methyl ester
bruceolline I
An indole alkaloid that is 1,2,3,4-tetrahydrocyclopenta[b]indole substituted by hydroxy groups at positions 2 and 6, geminal-methyl groups at position 3 and an oxo group at position 1. It has been isolated from the ethanol extract of the stems of Brucea mollis.
3-(2-acetyl-1H-pyrrol-1-yl)-5-(prop-2-yn-1-yl)dihydrofuran-2(3H)-one|longanlactone
3-(2-(4-hydroxyphenyl)-2-oxoethyl)-5,6-dihydropyridin-2(1h)-one
(7S)-5,6-dihydro-4-[(1R)-1-hydroxyethyl]-5H-spiro[cyclopenta[c]pyridine-7,2-furan]-5-one|plumericidine
2-Carbamoyl-3-methoxy-1,4-naphthoquinone|Me ether,amide-3-Hydroxy-1,4-naphthoquinone-2-carbxylic acid
2-(2-(Chlorophenyl)amino)benzaldehyde
CONFIDENCE standard compound; INTERNAL_ID 2695 CONFIDENCE standard compound; INTERNAL_ID 8566 CONFIDENCE standard compound; INTERNAL_ID 4090
6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid
(S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID HYDROCHLORIDE
(5Z)-2-AMINO-5-[(4-HYDROXY-3,5-DITERT-BUTYL-PHENYL)METHYLIDENE]-1,3-THIAZOL-4-ONE
4(3H)-Pteridinone,2-amino-5,6,7,8-tetrahydro-6,7-dimethyl-, hydrochloride (1:1)
3-(2-methylphenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
4-(2,5-DIMETHYL-1H-PYRROL-1-YL)-2-HYDROXYBENZOIC ACID
4-HYDROXY-2-(PHENYLAMINO)PYRIMIDINE-5-CARBOXYLIC ACID
2-Chloro-N-(2-chloroethyl)-N-methyl-2-phenylethanamine
2-chloro-5-nitro-n-hydroxyethyl p-phenylenediamine
4-ISOXAZOLECARBOXYLIC ACID, 3-METHYL-5-PHENYL-, ETHYL ESTER
4-(2-methoxyethoxy)pyridine-2-carboximidamide,hydrochloride
3-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide
1,3-dioxo-2-prop-2-enylisoindole-5-carboxylic acid
3-AMINO-3-(2,6-DIFLUORO-3-METHOXY-PHENYL)-PROPIONIC ACID
3-AMINO-3-(2,6-DIFLUORO-4-METHOXY-PHENYL)-PROPIONIC ACID
3-AMINO-3-(2-DIFLUOROMETHOXYPHENYL)-PROPIONIC ACID
3-AMINO-3-(4-DIFLUOROMETHOXY-PHENYL)-PROPIONIC ACID
(2-[4-BENZYL-PIPERAZIN-1-YL]-2-OXO-ETHYL)-CARBAMICACIDTERT-BUTYLESTER
Methyl 3-AMino-3-(3-hydroxyphenyl)propanoate Hydrochloride
METHYL 4-HYDROXY-7,8-DIMETHYLQUINOLINE-2-CARBOXYLATE
7-(TRIFLUOROMETHYL)-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE
7,9-dimethyl-1H-pyrido[2,3]thieno[2,4-d]pyrimidin-4-one
hydroxyamphetamine hydrobromide
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent
3-(4-Nitrophenyl)-5-(prop-1-en-2-yl)-1,2,4-oxadiazole
5,7-DIMETHYL-2,3-DIHYDRO-1H-[1,4]DIAZEPINEPERCHLORATE
2-(chloromethyl)-3-ethylimidazo[4,5-c]pyridine,hydrochloride
3-HYDROXY-2-OXO-3-TRIFLUOROMETHYL-7-METHYLINDOLINE
7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine,hydrochloride
2-Aminomethyl-5-phenyl-furan-3-carboxylic acid methyl ester hydrochloride
6-(methylamino)hexane-1,2,3,4,5-pentol,hydrochloride
Ethanone,1-(3,4-dihydroxyphenyl)-2-(dimethylamino)-, hydrochloride (1:1)
Imidodicarbonimidicdiamide, N-(2-fluorophenyl)-, hydrochloride (1:1)
methyl 3-amino-3-(2-chloro-6-fluorophenyl)propanoate
Flumexadol
Flumexadol is a selective and affinity 5-HT2C receptor agonist with a Ki of 25 nM for the (+)-enantiomer of Flumexadol, and is 40-fold selective over the 5-HT2A receptor. Flumexadol is an orally active non-narcotic analgesic[1][2].
(R)-1-(5-(Trifluoromethyl)pyridin-2-yl)pyrrolidin-3-amine
6-chloro-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
7-(2-methylsulfanylpyrimidin-4-yl)-5H-imidazo[1,2-b]pyrazole
4-(2-THIENYLMETHYL)-1LAMBDA6,4-THIAZINANE-1,1-DIONE
(2-amino-4,5-dimethylthiophen-3-yl)-phenylmethanone
6-(3-Furanyl)-2-methylpyridine-3-carboxylic acid ethyl ester
(2S,3S)-3-Amino-2-Hydroxy-4-Phenylbutyric Acid Hydrochloride
4-Chloro-6-(dimethylamino)-3-quinolinecarbonitrile
2-amino-1-(2,5-dimethoxyphenyl)ethanone hydrochloride
5-[4-(1-METHYLETHYL)PHENYL]-3-ISOXAZOLECARBOXYLIC ACID
6-CHLORO-4-OXO-3-PHENYL-1(4H)-PYRIDAZINECARBONITRILE
4-ALLYL-5-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
3-(DIMETHYLAMINO)-4-METHOXYBENZOIC ACID HYDROCHLORIDE
3-(Cyanomethyl)-5-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
1-CHLORO-5,6,7-TRIMETHYL-6H-PYRROLO[3,4-D]PYRIDAZINE HYDROCHLORIDE
6-AMINO-5-(CHLOROACETYL)-1-ETHYLPYRIMIDINE-2,4(1H,3H)-DIONE
Lorcaserin HCl
C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist
3-(2,5-DIMETHYL-PYRROL-1-YL)-4-HYDROXY-BENZOIC ACID
N-Ethyl-N-(5-formyl-furan-2-ylmethyl)-methanesulfonamide
BENZYL 4-OXO-3,4-DIHYDROPYRIDINE-1(2H)-CARBOXYLATE
(2s,3r)-3-amino-2-hydroxy-4-phenylbutyric acid hydrochloride
3,4-dihydroisoquinoline-2(1H)-sulfonyl chloride(SALTDATA: FREE)
2-AMINO-6-ISOPROPYL-4-OXO-4H-CHROMENE-3-CARBALDEHYDE
2,4(1H,3H)-Pyrimidinedione,6-amino-5-(2-chloroacetyl)-1,3-dimethyl-
Sulfathiourea
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EB - Short-acting sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
6-CHLORO-4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLINEHYDROCHLORIDE
3-(4-FORMYL-3-THIEN-2-YL-1H-PYRAZOL-1-YL)PROPANENITRILE
2-Propenoic acid,2-cyano-3-(4-methoxyphenyl)-, ethyl ester
1-(Furan-2-ylmethyl)pyrrolidine-2-carboxylic acid hydrochloride
4-hydroxy-5-nitro-2-propylsulfanyl-1H-pyrimidin-6-one
2-[5-(ethoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetic acid
5,6-Difluoro-4-(trimethylsilyl)pyridine-2-carboxylic acid
4-(2,3-EPOXYPROPOXY)-2-METHYL-1(2H)-ISOQUINOLINONE
2-Naphthalenecarboxamide,3-hydroxy-N-(2-hydroxyethyl)-
3-HYDROXYMETHYL-1(2H)-PYRIDINECARBOXYLIC ACID, PHENYL ESTER
2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethanamine
1-isopropyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
Piperidin-4-yl(thiophen-2-yl)methanone hydrochloride
5-(2,5-DIMETHYL-PYRROL-1-YL)-2-HYDROXY-BENZOIC ACID
BENZENEMETHANAMINE, 2-BROMO-4-FLUORO-N,N-DIMETHYL-
4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylbenzoic acid
tert-butyl N-(5-chloro-2-methylpyrazol-3-yl)carbamate
methyl 4-(aminocarbonyl)-5-(methylthio)thiophene-2-carboxylate
Methyl 4-amino-4,5,6,7-tetrahydrobenzofuran-3-carboxylate hydrochloride
2-(2,4-DIMETHOXYPHENYL)-2-OXOETHANAMINIUM CHLORIDE
3-Quinolinecarboxylicacid, 6-methoxy-, ethyl ester
BENZENEMETHANAMINE, 4-BROMO-2-FLUORO-N,N-DIMETHYL-
2-AMINO-6,7-DIMETHYL-4-HYDROXY-5,6,7,8-TETRAHYDROPTERIDINE MONOHYDROCHLORIDE
3-(4-HYDROXY-2-METHYL-QUINOLIN-3-YL)-PROPIONIC ACID
2-[(2,2-DIMETHYL-4-OXO-3,4-DIHYDRO-2H-CHROMEN-7-YL)OXY]ACETONITRILE
2-(3,4-DIMETHOXY-PHENYL)-2-OXO-ETHYL-AMMONIUM, CHLORIDE
Methyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
2-(2-Oxotetrahydrofuran-3-yl)-1H-isoindole-1,3(2H)-dione
5-(3-METHYL-1H-INDAZOL-5-YL)-1,3,4-THIADIAZOL-2-AMINE
3-HYDROXY-2-OXO-3-TRIFLUOROMETHYL-6-METHYLINDOLINE
4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde
3-AMINO-3-(2-HYDROXY-NAPHTHALEN-1-YL)-PROPIONIC ACID
Benzenamine, N,N-bis(2-chloroethyl)-3-methyl- (9CI)
8-ACETYL-7-METHYL-6H-1,2,5-OXADIAZOLO[3,4-E]INDOL-6-OL
N(2)-succinyl-L-ornithinate(1-)
A dicarboxylic acid monoanion that is the conjugate base of N(2)-succinyl-L-ornithine.
methaniazide
C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
(5-Hydroxy-4,6-dimethylpyridin-3-yl)methyl phosphate
D018977 - Micronutrients > D014815 - Vitamins
4-(L-gamma-glutamylamino)Butanoate
Conjugate base of 4-(L-gamma-glutamylamino)butanoic acid.
Nalidixic acid anion
A monocarboxylic acid anion that is the conjugate base of nalidixic acid; major species at pH 7.3.
2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
A member of the class of naphthoates that is 1-naphthoate substituted at positions 2, 5 and 7 by hydroxy, methyl and methoxy groups respectively; major species at pH 7.3.
4-Methyl-2-[(5-methyl-2-thiophenyl)methylideneamino]phenol
5-Hydroxyxanthotoxin(1-)
A phenolate anion that is the conjugate base of 5-hydroxyxanthotoxin, obtained by deprotonation of the hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
3-(2-chlorophenyl)-1-(1H-pyrrol-2-yl)-2-propen-1-one
(2R)-1-(3-mercapto-2,2-dimethyl-1-oxopropyl)-2-pyrrolidinecarboxylic acid
2-Amino-3-(2-chloro-3,4-dihydroxyphenyl)propanoic acid
4,5-Dihydrothiazolo[2,3-d][1,5]benzodiazepin-11-ium-6-carboxaldehyde
N-(2-aminoethyl)ethane-1,2-diamine;2-(chloromethyl)oxirane;hydrochloride
(3E)-5-methyl-3-[(N-methylanilino)methylidene]thiophen-2-one
(1-oxo-3a,4,7,7a-tetrahydro-1H-isoindol-3-yl)oxidanesulfonic acid
[(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl] hydrogen phosphate
2-Amino-3-(2-chloro-4,5-dihydroxyphenyl)propanoic acid
2-Amino-3-(3-chloro-4,5-dihydroxyphenyl)propanoic acid
3-amino-7-methoxy-5H-pyrimido[5,4-b]indol-1-ium-4-one
Paracetamol sulfate
An aryl sulfate that is paracetamol in which the hydroxy group has been replaced by a sulfooxy group.
L-Proline, 1-(2-methyl-3-(methylthio)-1-oxopropyl)-, (S)-
N-succinyl-L-glutamic 5-semialdehyde
A dicarboxylic acid monoamide obtained by the formal condensation of amino group of L-glutamic 5-semialdehyde with one of the carboxy groups of succinic acid.
2-carbamoyl-3-methoxy-1,4-naphthoquinone
{"Ingredient_id": "HBIN005443","Ingredient_name": "2-carbamoyl-3-methoxy-1,4-naphthoquinone","Alias": "NA","Ingredient_formula": "C12H9NO4","Ingredient_Smile": "NA","Ingredient_weight": "231.2","OB_score": "NA","CAS_id": "144258-80-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8674","PubChem_id": "NA","DrugBank_id": "NA"}
