Exact Mass: 235.06669580000002
Exact Mass Matches: 235.06669580000002
Found 500 metabolites which its exact mass value is equals to given mass value 235.06669580000002,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Carboxin
C12H13NO2S (235.06669580000002)
CONFIDENCE standard compound; INTERNAL_ID 456; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8170; ORIGINAL_PRECURSOR_SCAN_NO 8169 CONFIDENCE standard compound; INTERNAL_ID 456; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8163; ORIGINAL_PRECURSOR_SCAN_NO 8162 CONFIDENCE standard compound; INTERNAL_ID 456; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8129; ORIGINAL_PRECURSOR_SCAN_NO 8127 CONFIDENCE standard compound; INTERNAL_ID 456; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8224; ORIGINAL_PRECURSOR_SCAN_NO 8222 CONFIDENCE standard compound; INTERNAL_ID 456; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8211; ORIGINAL_PRECURSOR_SCAN_NO 8210 CONFIDENCE standard compound; INTERNAL_ID 456; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8221; ORIGINAL_PRECURSOR_SCAN_NO 8218 D016573 - Agrochemicals D010575 - Pesticides Carboxin (Carboxine) is a systemic agricultural fungicide and seed protectant.
3-Oxo-carbofuran
3-Oxo-carbofuran is a metabolite of Carbofuran in plants, insects and mammals. Metabolite of Carbofuran in plants, insects and mammals.
Asparaginylcysteine
Asparaginylcysteine is a dipeptide composed of asparagine and cysteine. 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.
6-Succinoaminopurine
6-Succinoaminopurine is endogenously metabolite produced in man. It has been shown to be an intermediate in the conversion of inosinic acid to adenylic acid. No consistent changes in adenine or hypoxanthine excretion occurred when 6-Succinoaminopurine excretion changed. [HMDB] 6-Succinoaminopurine is endogenously metabolite produced in man. It has been shown to be an intermediate in the conversion of inosinic acid to adenylic acid. No consistent changes in adenine or hypoxanthine excretion occurred when 6-Succinoaminopurine excretion changed.
Cysteinyl-Asparagine
Cysteinyl-Asparagine is a dipeptide composed of cysteine and asparagine. 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.
2-Propenoic acid, 2-(((2-methoxyphenyl)acetyl)amino)-
2',3'-Dideoxyadenosine
C10H13N5O2 (235.10691980000004)
2',5'-Dideoxyadenosine
C10H13N5O2 (235.10691980000004)
5-(4-Methoxybenzylidene)-1,3-thiazolidine-2,4-dione
C11H9NO3S (235.03031239999999)
alpha-(Chloromethyl)-2-hydroxymethyl-5-nitroimidazole-1-ethanol
5-(Diethylphosphono)-5-methyl-1-pyrroline N-Oxide
5-Isoxazoleacetic acid, 4,5-dihydro-3-(4-hydroxyphenyl)-, methyl ester
(2R,3R,4R,5R)-2-Amino-4,5,6-trihydroxy-3-[(2R)-1-oxopropan-2-yl]oxyhexanal
(4R)-3-((2S)-3-Mercapto-2-methylpropanoyl)-4-thiazolidinecarboxylic acid
N-[(2R)-6,7-Dihydroxy-3-oxo-1-sulfanylheptan-2-yl]acetamide
N,N-dihydroxy-L-tryptophan
N,n-dihydroxy-l-tryptophan belongs to indolyl carboxylic acids and derivatives class of compounds. Those are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring. N,n-dihydroxy-l-tryptophan is slightly soluble (in water) and a weakly acidic compound (based on its pKa). N,n-dihydroxy-l-tryptophan can be found in a number of food items such as abalone, flaxseed, fig, and bamboo shoots, which makes n,n-dihydroxy-l-tryptophan a potential biomarker for the consumption of these food products.
7-Amino-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thiophenecarbohydrazide
2,5-dimethyl-1-(2-thienylmethyl)pyrrole-3-carboxylic acid
C12H13NO2S (235.06669580000002)
[5-(6-aminopurin-9-yl)-2-oxolanyl]methanol
C10H13N5O2 (235.10691980000004)
2-methyl-6-methylthioisoquinoline-3,5,8(2H)-trione
C11H9NO3S (235.03031239999999)
(4S)-6c-((R)-1-Hydroxy-2-methoxy-aethyl)-4r,5c-dimethoxy-tetrahydro-[1,3]oxazin-2-on|(4S)-6c-((R)-1-hydroxy-2-methoxy-ethyl)-4r,5c-dimethoxy-tetrahydro-[1,3]oxazin-2-one
4-hydroxy-6,8-dimethoxy-1-methyl-1H-quinolin-2-one
4-hydroxy-3-methoxyphenyl 2-thiazolyl ketone
C11H9NO3S (235.03031239999999)
2-Hydroxy-6-(4-hydroxy-3-methyl-trans-2-butenylamino)-purin|2-Hydroxy-6-(4-hydroxy-3-methylbut-trans-2-enyl)purin|6-(4-hydroxy-3-methyl-but-2-enylamino)-1,7(9)-dihydro-purin-2-one
C10H13N5O2 (235.10691980000004)
2,4,6-trimethyl-3,5-dinitrobenzonitrile
C10H9N3O4 (235.05930339999998)
2,3-Dideoxyadenosine
C10H13N5O2 (235.10691980000004)
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent relative retention time with respect to 9-anthracene Carboxylic Acid is 0.384 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.377 2',3'-Dideoxyadenosine is an inhibitor of HIV replication[1]. Antiretroviral activity[1]. Antiviral efficacy[1].
CARBOXIN
C12H13NO2S (235.06669580000002)
D016573 - Agrochemicals D010575 - Pesticides Carboxin (Carboxine) is a systemic agricultural fungicide and seed protectant.
Ketamine metabolite (2-Cyclohexen-1-one, 6-(2-chlorophenyl)-6-(methylamino)-)
4-cyclohexyl-2-mercapto-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
C-[3-(3,4-DIMETHOXY-PHENYL)-[1,2,4]OXADIAZOL-5-YL]-METHYLAMINE
2-(2-HYDROXY-ETHYL)-1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOLE-5-CARBOXYLIC ACID
8-NITRO-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTER
C10H9N3O4 (235.05930339999998)
2-(4-Methoxyphenyl)thiazole-4-carboxylic acid
C11H9NO3S (235.03031239999999)
2-(3,5-DIOXO-4-AZA-TRICYCLO[5.2.1.0(2,6)]DEC-8-EN-4-YL)-PROPIONIC ACID
(S)-3-(1,3-DIOXOISOINDOLIN-2-YL)-2-HYDROXYPROPANOIC ACID
1-[2-(3-FLUORO-4-METHYLPHENYL)-1,3-THIAZOL-4-YL]ETHAN-1-ONE
Pyrido[3,2-d]pyrimidine-3(2H)-acetic acid,1,4-dihydro--alpha--methyl-2,4-dioxo-
C10H9N3O4 (235.05930339999998)
4-ISOXAZOLECARBOXYLIC ACID, 3-(4-FLUOROPHENYL)-5-METHYL-, METHYL ESTER
C12H10FNO3 (235.06446820000002)
2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
1-(PHENYLSULFONYL)-1H-PYRROLE-2-CARBALDEHYDE
C11H9NO3S (235.03031239999999)
2-oxo-4-(4-pyridinyl)-1,2-dihydro-5-pyrimidinecarboxylic acid hydrate
C10H9N3O4 (235.05930339999998)
2,5-Dideoxyadenosine
C10H13N5O2 (235.10691980000004)
D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides 2',5'-Dideoxyadenosine is a potent and non-competitive adenylyl cyclase inhibitor via binding the P-site with an IC50 of 3 μM . 2',5'-Dideoxyadenosine is a nucleoside analog and exerts a potent antiadrenergic action in heart[1][2]. 2',5'-Dideoxyadenosine is a potent and non-competitive adenylyl cyclase inhibitor via binding the P-site with an IC50 of 3 μM . 2',5'-Dideoxyadenosine is a nucleoside analog and exerts a potent antiadrenergic action in heart[1][2].
Hydrazinecarboximidamide,2-[(5-nitro-2-furanyl)methylene]-, hydrochloride (1:1)
C6H10ClN5O3 (235.04721400000003)
1-(2-METHOXY-PHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
6-chloro-5-ethoxypyridine-2-carboximidamide,hydrochloride
3-chloro-6-ethoxypyridine-2-carboximidamide,hydrochloride
3-[5-(4-Fluorophenyl)-1,3-oxazol-2-yl]propanoic acid
C12H10FNO3 (235.06446820000002)
ETHYL 2-(4-FLUOROPHENYL)OXAZOLE-4-CARBOXYLATE
C12H10FNO3 (235.06446820000002)
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carbonitrile
C11H14BNO2S (235.08382540000002)
methyl 4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate
n-[4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]glycine
C10H9N3O4 (235.05930339999998)
ETHYL 2-HYDROXY-5-OXO-5,6,7,8-TETRAHYDROQUINOLINE-3-CARBOXYLATE
PROPYL 2-(BENZO[D]THIAZOL-2-YL)ACETATE
C12H13NO2S (235.06669580000002)
ISOPROPYL 2-(BENZO[D]THIAZOL-2-YL)ACETATE
C12H13NO2S (235.06669580000002)
1-(2,4-Dimethylquinolin-3-yl)ethanone hydrochloride
1,2-dihydro-2-oxo-6-(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester
4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
2-(3-METHOXYPHENYL)THIAZOLE-4-CARBOXYLIC ACID
C11H9NO3S (235.03031239999999)
5-Isothiazolecarboxylicacid,3-(3-methoxyphenyl)-
C11H9NO3S (235.03031239999999)
5-amino-2-trifluoromethoxybenzoic acid Methyl ester
1-METHANESULFONYL-PIPERIDINE-3-CARBOXYLIC ACID ETHYL ESTER
2-{[3-(Trifluoromethyl)benzyl]sulfanyl}ethanamine
C10H12F3NS (235.06425079999997)
1-PHENYL-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDINE HYDROCHLORIDE
(R)-TERT-BUTYL 2-(CHLOROMETHYL)MORPHOLINE-4-CARBOXYLATE
(S)-TERT-BUTYL 2-(CHLOROMETHYL)MORPHOLINE-4-CARBOXYLATE
[2-(4-HYDROXY-PHENYL)-THIAZOL-4-YL]-ACETIC ACID
C11H9NO3S (235.03031239999999)
(6-BROMO-1,3-BENZODIOXOL-5-YL)METHYL]HYDRAZINEHYDROCHLORIDE
ethyl 7-fluoro-4-oxo-1H-quinoline-3-carboxylate
C12H10FNO3 (235.06446820000002)
Ethyl 6-fluoro-4-oxo-1,4-dihydroquinoline-2-carboxylate
C12H10FNO3 (235.06446820000002)
4-(1-piperazinylsulfonyl)morpholine(SALTDATA: HCl)
1,7-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acid(SALTDATA: FREE)
C10H9N3O4 (235.05930339999998)
Ethyl 8-Fluoro-4-hydroxyquinoline-3-carboxylate
C12H10FNO3 (235.06446820000002)
6-(4-methoxyphenyl)-3-sulfanylidene-2H-1,2,4-triazin-5-one
5-[(3,4-Dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
4-Thiazolecarboxylic acid, 2-(2-Methoxyphenyl)-
C11H9NO3S (235.03031239999999)
ethyl 5-(4-fluorophenyl)-1,3-oxazole-4-carboxylate
C12H10FNO3 (235.06446820000002)
ethyl 4,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
2-(3-(methylsulfonyl)phenyl)ethanamine hydrochloride
1-Isocyanobut-3-en-1-yl 4-methylphenyl sulfone
C12H13NO2S (235.06669580000002)
1-(Benzyloxycarbonylamino)cyclopropyl-1-carboxylic acid
ethyl 2-[[2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-4-phenyl-thiophene-3-carboxylate
2-Thiazolecarboxylic acid,4-(4-methoxyphenyl)-
C11H9NO3S (235.03031239999999)
methyl 2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetate
2-(2,8,9-TRIOXA-5-AZA-1-SILABICYCLO[3.3.3]UNDEC-1-YLOXY)ETHANOL
Propanoic acid, 2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]-, (2R)-
2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid
C10H9N3O4 (235.05930339999998)
(2-CHLORO-4-METHANESULFONYL-PHENYL)-METHANOL
C13H11ClFN (235.05640079999998)
Ethyl 6-fluoro-4-hydroxy-3-quinolinecarboxylate
C12H10FNO3 (235.06446820000002)
2-benzofurancarboxylic acid, 6-nitro-, ethyl ester
5-(1,3-BENZOTHIAZOL-2-YL)PENTANOIC ACID
C12H13NO2S (235.06669580000002)
Pyrimidine, 4-(4-piperidinyl)-, hydrochloride (1:2)
C9H15Cl2N3 (235.06429699999998)
2-Ethoxy-5-(trifluoromethyl)pyridine-3-boronic acid
C8H9BF3NO3 (235.06275499999998)
6-AMINO-1-(4-FLUORO-PHENYL)-3-METHYL-1H-PYRIMIDINE-2,4-DIONE
C11H10FN3O2 (235.07570120000003)
2-(3,4-Difluorophenyl)morpholine hydrochloride
C10H12ClF2NO (235.05754359999997)
4-(DIMETHYLAMINO)BENZIMIDAMIDE HYDROCHLORIDE
C9H15Cl2N3 (235.06429699999998)
methyl 6-hydroxy-2-methoxy-7,8-dihydroquinoline-5-carboxylate
3-(2-FURYL)ACRYLIC ACID*N-HYDROXYSUCCINI MIDE ESTER
8-CHLORO-5-(TRIFLUOROMETHYL)-1,2,3,4-TETRAHYDROQUI
C10H9ClF3N (235.03755799999996)
1-Phenyl-1,2-propanedione-2-(O-ethoxycarboxy)oxime
1-(4-METHOXY-PHENYL)-5-OXO-PYRROLIDINE-3-CARBOXYLIC ACID
2-(3-FLUORO-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
C12H10FNO3 (235.06446820000002)
5-NITRO-1H-BENZIMIDAZOLE-2-CARBOXYLIC ACID ETHYL ESTER
C10H9N3O4 (235.05930339999998)
ethyl 5-nitro-1h-indazole-3-carboxylate
C10H9N3O4 (235.05930339999998)
2-(2-FLUORO-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
C12H10FNO3 (235.06446820000002)
(1-ETHYL-1H-INDOL-3-YLSULFANYL)-ACETIC ACID
C12H13NO2S (235.06669580000002)
4-METHYL-5-[(4-METHYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
METHYL 4-(THIAZOL-2-YLOXY)BENZOATE
C11H9NO3S (235.03031239999999)
1-PYRIDIN-3-YL-PIPERAZINEDIHYDROCHLORIDE
C9H15Cl2N3 (235.06429699999998)
TERT-BUTYL 2-OXO-1H-IMIDAZO[4,5-B]PYRIDINE-3(2H)-CARBOXYLATE
5-METHYL-5-(4-NITRO-PHENYL)-IMIDAZOLIDINE-2,4-DIONE
C10H9N3O4 (235.05930339999998)
ethyl N-(2-cyano-4-nitrophenyl)carbamate
C10H9N3O4 (235.05930339999998)
1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propan-1-one
ethyl 3-methyl-4h-1,4-benzothiazine-2-carboxylate
C12H13NO2S (235.06669580000002)
ethyl 5-(4-fluorophenyl)isoxazole-3-carboxylate
C12H10FNO3 (235.06446820000002)
2-Chloro-6-(4-oxopiperidin-1-yl)isonicotinonitrile
Ethyl 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylate
3-Azido-2-(benzoyloxy)propanoic acid
C10H9N3O4 (235.05930339999998)
2(1H)-Quinolinone, 4-hydroxy-6,7-dimethoxy-1-Methyl-
3-amino-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
N-[3-(5-Mercapto-1H-1,2,3,4-tetraazol-1-yl)phenyl]acetamide
2-[(4-METHYLSULFONYL)PHENYL]ETHYLAMINEHYDROCHLORIDE
tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate
3-PYRROLIDINECARBOXYLIC ACID, 1-(4-METHOXYPHENYL)-2-OXO-
6-Chloro-2-(3-piperidinyl)-1H-pyrrolo[2,3-b]pyridine
6-Chloro-2-[(3S)-3-piperidinyl]-1H-pyrrolo[2,3-b]pyridine
6-Chloro-2-[(3R)-3-piperidinyl]-1H-pyrrolo[2,3-b]pyridine
6-Chloro-3-(3-piperidinyl)-1H-pyrrolo[2,3-b]pyridine
6-Chloro-2-[(2R)-2-pyrrolidinylmethyl]-1H-pyrrolo[2,3-b]pyridine
6-Chloro-2-[(2S)-2-pyrrolidinylmethyl]-1H-pyrrolo[2,3-b]pyridine
methyl 1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate
(S)-METHYL 3-BENZYL-2-OXOOXAZOLIDINE-4-CARBOXYLATE
1-[3-AMINO-5-(4-FLUOROPHENYL)-2-THIENYL!ETHAN-1-ONE
1-(3-chloro-4-methoxyphenyl)-1h-pyrrole-2-carbaldehyde
2-(2,5-DIMETHYL-1H-1-PYRROLYL)-3-THIOPHENECARBOHYDRAZIDE
N-(2-Fluoro-4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenyl)acetamide
4-ALLYL-5-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
3-(2-OXO-5-(TRIFLUOROMETHYL)PYRIDIN-1(2H)-YL)PROPANOIC ACID
7-AMINO-3,4-DIHYDRO-1H-QUINOXALIN-2-ONE DIHYDROCHLORIDE
2-(2-(2,2,2-TRIFLUOROETHOXY)PHENOXY)ETHANAMINE
C10H12F3NO2 (235.08200879999998)
2-(3-(METHYLTHIO)PROPYL)ISOINDOLINE-1,3-DIONE
C12H13NO2S (235.06669580000002)
ETHYL 6-OXO-2-(TRIFLUOROMETHYL)-1,6-DIHYDROPYRIDINE-3-CARBOXYLATE
1H-Indole, 1-(2-chloro-1-oxopropyl)-2,3-dimethyl- (9CI)
Cevimeline hydrochloride
C10H18ClNOS (235.07975679999998)
Cevimeline hydrochloride (AF102B hydrochloride) is a quinuclidine derivative of acetylcholine and a selective and orally active muscarinic M1 and M3 receptor agonist. Cevimeline hydrochloride stimulates secretion by the salivary glands and can be used as a sialogogue for xerostomia[1][2][3][4]. Cevimeline hydrochloride can cross the blood-brain barrier (BBB)[5].
3-Cyanothiophene-4-boronic acid pinacol ester
C11H14BNO2S (235.08382540000002)
(3N-[(2S,3S)-2-AMINO-3-METHYL-PENTANOYL]-1,3-THIAZOLIDINE)HEMIFUMARATE
1-Cyano-4-dimethylaminopyridinium tetrafluoroborate
methyl 2-methoxymethyl-imidazo[1,2-a]pyrimidine 3-carboxylate
ethyl 4-oxo-6-(trifluoromethyl)-1H-pyridine-2-carboxylate
METHYL 4-METHOXY-1,3-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE
3-cyanopropylphenyldimethoxysilane
C12H17NO2Si (235.10285020000003)
N1-ISOPROPYL-2-BROMO-3,3-DIMETHYLBUTANAMIDE
C9H18BrNO (235.05716779999997)
ethyl 1,4-dihydro-8-fluoro-4-oxoquinoline-3-carboxylate
C12H10FNO3 (235.06446820000002)
Lazabemide hydrochloride
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor
ETHANONE, 1-[3-(4-CHLOROPHENYL)-5-METHYL-4-ISOXAZOLYL]-
1-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]hydrazine
(R)-1-((BENZYLOXY)CARBONYL)AZETIDINE-2-CARBOXYLIC ACID
5-NITRO-PYRAZOLO[1,5-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
C10H9N3O4 (235.05930339999998)
(2S)-2-(3-CHLORO-2,4,5-TRIFLUOROPHENYL)PYRROLIDINE
C10H9ClF3N (235.03755799999996)
1-(4-fluorophenyl)-2-(piperidin-1-yl)ethane-1,2-dione
1-ISOPROPYL-3-METHYL-6-OXO-6,7-DIHYDRO-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID
1-(4-CHLORO-BENZYL)-3,5-DIMETHYL-1H-PYRAZOL-4-YLAMINE
(R)-Methyl 2-amino-2-(5-fluoro-2-hydroxyphenyl)acetate hydrochloride
C9H11ClFNO3 (235.04114579999998)
Ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate
C10H9N3O4 (235.05930339999998)
METHYL 2-AMINO-5-FLUORO-4-(1H-IMIDAZOL-1-YL)BENZOATE
C11H10FN3O2 (235.07570120000003)
2-PHENYL-4,5,6,7-TETRAHYDRO-2H-PYRAZOLO[4,3-C]PYRIDINE HYDROCHLORIDE
tert-butyl 4-isothiocyanatobenzoate
C12H13NO2S (235.06669580000002)
Pyrrolidine, 1-(2-chloro-1-oxo-3-phenyl-2-propenyl)- (9CI)
4-chloro-6-(methoxymethyl)-2-(3-pyridyl)pyrimidine
2-(4-HYDROXY-2-PHENYLTHIAZOL-5-YL)ACETIC ACID
C11H9NO3S (235.03031239999999)
1,3,5-Triazine-2,4-diamine,6-(chloromethyl)-N2-phenyl-
C10H10ClN5 (235.06246900000002)
4-CHLORO-5-METHYL-6-((2-METHYLPYRIDIN-3-YL)OXY)PYRIMIDINE
tert-butyl 3-isothiocyanatobenzoate
C12H13NO2S (235.06669580000002)
5-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide
C12H13NO2S (235.06669580000002)
2-OXO-4-(3-PYRIDINYL)-1,2-DIHYDRO-5-PYRIMIDINECARBOXYLIC ACID HYDRATE
C10H9N3O4 (235.05930339999998)
5-NITRO-IMIDAZO[1,2-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
C10H9N3O4 (235.05930339999998)
(2b,3b,4a,16a)-2,3,16,23-Tetrahydroxyolean-12-en-28-oicacid
C11H9NO3S (235.03031239999999)
METHYL 3-(2,5-DIMETHYL-1H-PYRROL-1-YL)THIOPHENE-2-CARBOXYLATE
C12H13NO2S (235.06669580000002)
3,5-Thiomorpholinedione,2-ethyl-2-phenyl-
C12H13NO2S (235.06669580000002)
2-Chloro-1-(1,2,5-trimethyl-1H-indol-3-yl)ethanone
(4-(5-(methylamino)-1,3,4-thiadiazol-2-yl)phenyl)boronic acid
C9H10BN3O2S (235.05867500000002)
4-methyl-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-thiazole-5-carboxylic acid
C11H9NO3S (235.03031239999999)
5-Chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
C10H10ClN5 (235.06246900000002)
N(pros)-phospho-L-histidine
A histidine derivative in which L-histidine has been phosphorylated on the pros N atom.
5-(4-Methoxybenzylidene)-1,3-thiazolidine-2,4-dione
C11H9NO3S (235.03031239999999)
4-Thiazolidinecarboxylic acid, 3-(3-mercapto-2-methyl-1-oxopropyl)-
methyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside
(1z)-1-(3-Ethyl-5-Hydroxy-1,3-Benzothiazol-2(3h)-Ylidene)propan-2-One
C12H13NO2S (235.06669580000002)
6,6-Dimethyl-5,8-dihydro-6H-7-oxa-9-thia-1,3-diaza-fluoren-4-ylamine
4-(Dimethylamino)benzenediazonium tetrafluoroborate
methyl 2-acetamido-2-deoxy-beta-D-galactopyranoside
N-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dimethylmethanimidamide
1-[5-(Trifluoromethyl)pyridin-2-yl]sulfanylpropan-2-one
2-(1H-Benzo[d]imidazol-2-yl)-3-(furan-2-yl)acrylonitrile
3-(4-Hydroxyphenyl)-4,5-dihydro-5-isoxazole-acetic acid methyl ester
8-Hydroxy-4-(1-hydroxyethyl)quinoline-2-carboxylic acid
(2R,4R,5R,6S)-2,4,5-trihydroxy-6-[(1S)-1-hydroxy-2-oxoethyl]oxane-2-carboxylate
(2S,3S,4R,5S,6S)-5-acetamido-3,4,6-trihydroxyoxane-2-carboxylic acid
N-[(2R)-6,7-Dihydroxy-3-oxo-1-sulfanylheptan-2-yl]acetamide
(2R,3R,4R,5R)-2-Amino-4,5,6-trihydroxy-3-[(2R)-1-oxopropan-2-yl]oxyhexanal
5-amino-2-(1,2-dihydroxyethyl)-2-hydroxy-1,3-dioxocane-4,8-dione
(3E)-dec-3-en-1-yl sulfate
An organosulfate oxoanion that is the conjugate base of (3E)-dec-3-en-1-yl hydrogen sulfate. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii.
Benzoic acid [4-oxo-thiazolidin-(2E)-ylidene]-hydrazide
(2Z)-2-(pyridin-4-ylmethylidene)-3,4-dihydronaphthalen-1-one
1-(4-Chlorophenyl)-2-(3-methyl-1-imidazol-3-iumyl)ethanone
C12H12ClN2O+ (235.06381119999998)
6-[1-Azepanyl(mercapto)methylidene]-1-cyclohexa-2,4-dienone
(3Z)-dec-3-en-1-yl sulfate
An organosulfate oxoanion that is the conjugate base of (3Z)-dec-3-en-1-yl hydrogen sulfate. Isolated from Daphnia pulex, it induces morphological changes of phytoplankton Scenedesmus gutwinskii.
4-Carboxy-2-methoxy-6-(3-methylbut-2-enyl)phenolate
L-Proline, N-propargyloxycarbonyl-, propargyl ester
INDY
C12H13NO2S (235.06669580000002)
A member of the class of benzothiazoles that is 2,3-dihydro-1,3-benzothiazole substituted by 2-oxopropylidene, ethyl, and hydroxy groups at positions 2, 3 and 5, respectively. It is an ATP-competitive inhibitor of Dyrk1A and Dyrk1B (IC50 of 0.24 muM and 0.23 muM, respectively).
(Rac)-ABT-202 (dihydrochloride)
C9H15Cl2N3 (235.06429699999998)
(Rac)-ABT-202 dihydrochloride is a racemate of ABT-202. ABT-202 is an agonist of nicotinic acetylcholine receptors (nAChRs) and can be used as an analgesic[1].
2-[(1e)-1-chloroprop-1-en-2-yl]-1-benzofuran-5-carboximidic acid
4-hydroxy-5-(3-hydroxypyridin-2-yl)-4-methyl-2,3-dihydropyrrole-2-carboximidic acid
4-methoxy-7-methyl-8,9-dihydro-[1,3]dioxolo[4,5-f]isoquinolin-6-one
{"Ingredient_id": "HBIN010623","Ingredient_name": "4-methoxy-7-methyl-8,9-dihydro-[1,3]dioxolo[4,5-f]isoquinolin-6-one","Alias": "NA","Ingredient_formula": "C12H13NO4","Ingredient_Smile": "NA","Ingredient_weight": "235.24","OB_score": "18.30248249","CAS_id": "125617-79-0","SymMap_id": "SMIT10025","TCMID_id": "NA","TCMSP_id": "MOL008802","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2r)-2-{[(2e)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]amino}propanoic acid
2-[(1z)-1-chloroprop-1-en-2-yl]-1-benzofuran-5-carboximidic acid
n-methyl-n-[2-(methylsulfanyl)ethyl]-3-phenylprop-2-enamide
(4s)-4-hydroxy-5-(3-hydroxypyridin-2-yl)-4-methyl-2,3-dihydropyrrole-2-carboximidic acid
(4r)-4-hydroxy-4-methyl-5-[(2z)-3-oxopyridin-2-ylidene]pyrrolidine-2-carboximidic acid
(2e)-n-methyl-n-[2-(methylsulfanyl)ethyl]-3-phenylprop-2-enamide
10-hydroxy-11-[(1e)-prop-1-en-1-yl]-3,5,12-trioxa-7-azatricyclo[6.4.0.0²,⁶]dodeca-1(8),2(6),10-trien-9-one
2-methyl-6-(methylsulfanyl)isoquinoline-3,5,8-trione
C11H9NO3S (235.03031239999999)
9-methoxy-6-methyl-2h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-one
(2s,4r)-4-hydroxy-5-(3-hydroxypyridin-2-yl)-4-methyl-2,3-dihydropyrrole-2-carboximidic acid
3-(chloromethylidene)-2h-1-benzoxepine-7-carboxamide
(4r)-4-hydroxy-5-(3-hydroxypyridin-2-yl)-4-methyl-2,3-dihydropyrrole-2-carboximidic acid
10-amino-9-chloro-2-methyl-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,7,9-tetraen-11-one
(3e)-3-(chloromethylidene)-2h-1-benzoxepine-7-carboxamide
2-(1-chloroprop-1-en-2-yl)-1-benzofuran-5-carboximidic acid
8-hydroxy-4-methoxyquinoline-2-carbothioic s-acid
C11H9NO3S (235.03031239999999)