Exact Mass: 235.0844538
Exact Mass Matches: 235.0844538
Found 500 metabolites which its exact mass value is equals to given mass value 235.0844538,
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.
Pandamarilactam 3x
Pandamarilactam 3gamma is an alkaloid from Pandanus amaryllifolius. Pandamarilactam 3gamma is a food flavouring. Alkaloid from Pandanus amaryllifolius. Food flavouring.
2-Propenoic acid, 2-(((2-methoxyphenyl)acetyl)amino)-
2',3'-Dideoxyadenosine
C10H13N5O2 (235.10691980000004)
2',5'-Dideoxyadenosine
C10H13N5O2 (235.10691980000004)
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
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.
Dibutylone
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents D049990 - Membrane Transport Modulators
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)
(2alpha)-14xi-hydroxy-14,15-dihydro-securinan-11-one|Securinol C
(+-)-Norruspolinon|(+/-)-Norruspolinone|1-(4-hydroxy-3-methoxy-phenyl)-2-pyrrolidin-2-yl-ethanone|Norruspolinone|phenacylpyrrolidine
(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
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)
3,4-Dihydro-8-hydroxy-6,7-dimethoxy-1,2-dimethylisoquinolinium
1-(1,3-benzodioxol-4-yl)-2-(methylamino)pentan-1-one
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].
Premycofactocinol
A member of the class of pyrrolines that is 2-pyrroline in which the hydrogens at positions 2,3,4,4, and 5 are replaced by hydroxy, hydroxy, methyl, methyl, and (4-hydroxyphenyl)methyl groups, respectively. It results from the reduction of premycofactocin by oxidoreductases.
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
2-(2,6-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole
C-[3-(3,4-DIMETHOXY-PHENYL)-[1,2,4]OXADIAZOL-5-YL]-METHYLAMINE
8-NITRO-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTER
C10H9N3O4 (235.05930339999998)
2-(3,5-DIOXO-4-AZA-TRICYCLO[5.2.1.0(2,6)]DEC-8-EN-4-YL)-PROPIONIC ACID
(4S,6R)-6-BENZYLOXYMETHYL-4-METHYL-4-VINYL-TETRAHYDRO-PYRAN-2-OL
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-METHYL-1-PHENYL-1H-BENZO[D]IMIDAZOLE-5-CARBONITRILE
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].
(S)ALFAAMINOBENZENEBUTANOICACID1,1-DIMETHYLETHYLESTER
1-(2-METHOXY-PHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
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
(2R)-2-(2,2-dimethylpropanoylamino)-2-phenylacetic acid
ethyl 1-cyclopropyl-4-formyl-2,5-dimethylpyrrole-3-carboxylate
1-(4-METHOXY-PHENYLAMINO)-CYCLOPENTANECARBOXYLIC ACID
4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
tert-Butyl N-[(4-methoxyphenyl)methylene]carbamate
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
3-(2-AMINO[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-6-YL)PROPYL ACETATE
C10H13N5O2 (235.10691980000004)
(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)
6-fluoro-2-methyl-5-piperazin-1-yl-1,3-benzoxazole
C12H14FN3O (235.11208459999997)
Ethyl 8-Fluoro-4-hydroxyquinoline-3-carboxylate
C12H10FNO3 (235.06446820000002)
5-[(3,4-Dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
2-Naphthalenamine,1,2,3,4-tetrahydro-N-methyl-N-2-propyn-1-yl-,hydrochloride
2-(ACETYLAMINO)-3-(3,4-DIMETHYLPHENYL)PROPANOIC ACID
ethyl 5-(4-fluorophenyl)-1,3-oxazole-4-carboxylate
C12H10FNO3 (235.06446820000002)
ethyl 4,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
2-(3,4-DIMETHOXYPHENYL)-4,4-DIMETHYL-4,5-DIHYDRO-1,3-OXAZOLE
1-Isocyanobut-3-en-1-yl 4-methylphenyl sulfone
C12H13NO2S (235.06669580000002)
(2-O-BENZYL-4,6-O-BENZYLIDENE)METHYL-ALPHA-D-GLUCOPYRANOSIDE
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
Benzyl 3-hydroxy-3-methylpyrrolidine-1-carboxylate
methyl 2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetate
(2S,4R)-4-benzyloxy-1-methyl-pyrrolidine-2-carboxylic acid
2-(2,8,9-TRIOXA-5-AZA-1-SILABICYCLO[3.3.3]UNDEC-1-YLOXY)ETHANOL
2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid
C10H9N3O4 (235.05930339999998)
CIS-METHYL 2-(4-METHOXYPHENYL)PYRROLIDINE-3-CARBOXYLATE
(2-CHLORO-4-METHANESULFONYL-PHENYL)-METHANOL
C13H11ClFN (235.05640079999998)
Ethyl 6-fluoro-4-hydroxy-3-quinolinecarboxylate
C12H10FNO3 (235.06446820000002)
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)
tert-butyl 4-oxo-4,5,6,7-tetrahydro-1H-indole-1-carboxylate
methyl 6-hydroxy-2-methoxy-7,8-dihydroquinoline-5-carboxylate
Thiourea,N-(cyclopropylmethyl)-N-[1-(4-pyridinyl)ethyl]-
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
2-AMINO-6-METHOXY-1,2,3,4-TETRAHYDRO-NAPHTHALENE-2-CARBOXYLIC ACID METHYL ESTER
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)
1H-INDOLE-1-CARBOXYLIC ACID,2,3-DIHYDRO-4-HYDROXY-,1,1-DIMETHYLETHYL ESTER
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
trans-Methyl 4-(4-methoxyphenyl)pyrrolidine-3-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
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
Thieno[3,2-c]pyridine-3-carbonitrile, 2-amino-5-(1,1-dimethylethyl)-4,5,6,7-tetrahydro- (9CI)
methyl 1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate
(S)-METHYL 3-BENZYL-2-OXOOXAZOLIDINE-4-CARBOXYLATE
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
2-(2-(2,2,2-TRIFLUOROETHOXY)PHENOXY)ETHANAMINE
C10H12F3NO2 (235.08200879999998)
2-(3-(METHYLTHIO)PROPYL)ISOINDOLINE-1,3-DIONE
C12H13NO2S (235.06669580000002)
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
4-[(2-Cyanopropan-2-yl)amino]-2-fluoro-N-methylbenzamide
C12H14FN3O (235.11208459999997)
1-Cyano-4-dimethylaminopyridinium tetrafluoroborate
methyl 2-methoxymethyl-imidazo[1,2-a]pyrimidine 3-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)
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)
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
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
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)
N-(1-DIMETHYLAMINO-ETHYLIDENE)-2-ETHYL-THIOISONICOTINAMIDE
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)
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)
5-Chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
C10H10ClN5 (235.06246900000002)
5-(6-Aminopurin-9-yl)-2-methyl-3-oxolanol
C10H13N5O2 (235.10691980000004)
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
4-(2,5-Dimethyl-1-propyl-3-pyrrolyl)-2-thiazolamine
2-(1H-Benzo[d]imidazol-2-yl)-3-(furan-2-yl)acrylonitrile
3-(4-Hydroxyphenyl)-4,5-dihydro-5-isoxazole-acetic acid methyl ester
1-[(2-Amino-6,9-dihydro-1H-purin-6-YL)oxy]-3-methyl-2-butanol
C10H13N5O2 (235.10691980000004)
8-Hydroxy-4-(1-hydroxyethyl)quinoline-2-carboxylic acid
(R)-1-(4-(4-(Hydroxymethyl)-1,3,2-dioxaborolan-2-YL)phenyl)guanidine
(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
1,6-Dimethyl-3-propylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
C10H13N5O2 (235.10691980000004)
5-Ethyl-1-(phenylmethyl)-1,3,5-triazinane-2-thione
(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.
(2S,3R,5S)-5-(6-aminopurin-9-yl)-2-methyl-3-oxolanol
C10H13N5O2 (235.10691980000004)
(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
(3R)-5-(6-aminopurin-9-yl)-2-methyl-3-oxolanol
C10H13N5O2 (235.10691980000004)
(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
1,2-DI-Tert-butyl-1-chloro-1,2-dimethyldisilane
C10H24ClSi2 (235.11049939999998)
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-{9h-pyrido[3,4-b]indol-1-yl}-4,5-dihydro-3h-pyrrole
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
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
6-[(4-hydroxy-3-methylbut-2-en-1-yl)amino]-3h-purin-2-ol
C10H13N5O2 (235.10691980000004)
(2e)-n-methyl-n-[2-(methylsulfanyl)ethyl]-3-phenylprop-2-enamide
9-methoxy-6-methyl-2h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-one
6-{[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]amino}-3h-purin-2-ol
C10H13N5O2 (235.10691980000004)