Exact Mass: 234.1112
Exact Mass Matches: 234.1112
Found 500 metabolites which its exact mass value is equals to given mass value 234.1112,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
2,6-Diamino-7-hydroxy-azelaic acid
A alpha,omega-dicarboxylic acid that is azelaic acid substituted by amino groups at positions 2 and 6.
5-Methoxytryptophan
5-methoxytryptophan is an L-tryptophan derivative that is L-tryptophan with a methoxy substituent at position 5. It has a role as a metabolite. It derives from a L-tryptophan. It is a tautomer of a 5-methoxy-L-tryptophan zwitterion. 5-Methoxytryptophan belongs to the class of organic compounds known as serotonins. Serotonins are compounds containing a serotonin moiety, which consists of an indole that bears an aminoethyl a position 2 and a hydroxyl group at position 5. Outside of the human body, 5-Methoxytryptophan has been detected, but not quantified in cow milk. 5-Methoxytryptophan is reduced in the urine of patients with liver disease. 5-Methoxytryptophan is reduced in the urine of parients with liver disease. 5-Methoxytryptophan and other 5-methoxyindoles are often classified as neuromodulators. 5-methoxyindoles are compounds usually associated with the pineal gland, and they are thought to participate in the regulation of the cyclic metabolism of the retina. (PMID 2419712)
Pterosin N
Isolated from Pteridium aquilinum (bracken fern). Pterosin N is found in green vegetables and root vegetables. Pterosin N is found in green vegetables. Pterosin N is isolated from Pteridium aquilinum (bracken fern).
(10S,11S)-Pterosin C
(10S,11S)-Pterosin C is found in green vegetables. (10S,11S)-Pterosin C is a constituent of Pteridium aquilinum (bracken fern)
Dehydrooreadone
Dehydrooreadone is found in mushrooms. Dehydrooreadone is a metabolite of Marasmius oreades (fairy ring mushroom Metabolite of Marasmius oreades (fairy ring mushroom). Dehydrooreadone is found in mushrooms.
(S)-Pterosin P
Isolated from Pteridium aquilinum (bracken fern). (S)-Pterosin P is found in green vegetables and root vegetables. (S)-Pterosin P is found in green vegetables. (S)-Pterosin P is isolated from Pteridium aquilinum (bracken fern).
S-4-Hydroxymephenytoin
S-4-Hydroxymephenytoin is only found in individuals that have used or taken Mephenytoin. S-4-Hydroxymephenytoin is a metabolite of Mephenytoin. S-4-hydroxymephenytoin belongs to the family of Ureides. These are compounds containing an ureide group with the general structure R-CO-NH-CO-N(R)R, formally derived by the acylation of urea. 4-Hydroxymephenytoin is a metabolism of an antiepileptic agent mephenytoin, which is used as a CYP2C19 substrate. 4-Hydroxymephenytoin is a metabolism of an antiepileptic agent mephenytoin, which is used as a CYP2C19 substrate.
Cysteinyl-Isoleucine
Cysteinyl-Isoleucine is a dipeptide composed of cysteine and isoleucine. 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.
Cysteinyl-Leucine
Cysteinyl-Leucine is a dipeptide composed of cysteine and leucine. 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.
Isoleucyl-Cysteine
Isoleucyl-Cysteine is a dipeptide composed of isoleucine 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Leucyl-Cysteine
Leucyl-Cysteine is a dipeptide composed of leucine 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
2-Methoxyidazoxan
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
1-(1,3-Benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-ol
Cyclopentobarbital
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
Mepirizole
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
2,3-Dihydro-2-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-1H-inden-1-one
epirizole
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
4,4-oxybis(6-methylcyclohex-2-en-1-one)|epoxydine A
6,12-Tetradecadiene-8,10-diyne-1,5,14-triol|tetradeca-6t,12t-diene-8,10-diyne-1,5,14-triol
2-(1-Methylethenyl)-alpha-methyl-5-methoxy-2,3-dihydrobenzofuran-4-methanol
1-oxo-5alpha,6beta,7alphaH-2-norelema-3,11(13)-dien-12,6-olide
4-Hydroxy-3-(3-mthoxy-3-methy-l-butenyl)acetophenone
1-[3-(3-Hydroxy-3-methyl-1-butenyl)-4-methoxyphenyl]ethanone
6,13-Tetradecadiene-8,10-diyne-1,5,12-triol|tetradeca-6t,13-diene-8,10-diyne-1,5,12-triol|Tetradeca-trans-6.13-dien-8.10-diin-1.5.12-triol
3-[4-(3-methyl-4-hydroxy-2-butenyloxy)-phenyl]-propenol|4-[4-(3-hydroxy-prop-1-en-1-yl)-phenoxy]-2-methyl-but-2-en-1-ol|integrifoliodiol
5-(1,3-Dihydroxypropyl)-2-isopropenyl-2,3-dihydrobenzofuran
(5Z,12E)-form-5,12-Tetradecadiene-8,10-diyne-1,7,14-triol,|Tetradeca-2t,9c-dien-4,6-diin-1,8,14-triol
2,6-Diamino-5-hydroxy-5-(hydroxymethyl)hexanoic acid-N6-Ac|N6-acetyl-5-hydroxy-5-(hydroxymethyl)lysine
2-(4-methoxyphenyl)-ethylsenecioate|2-<4-methoxyphenyl>-ethylsenecioate
2-(beta,beta-dimethylacrylyl)-4-hydroxyethylanisole
(+)-4-(4-hydroxy-3-methylbutyloxy)-3-phenylpropenal
Cyclo(histidyl-proline);Histidylproline diketopiperazine
9-(1,1-dimethylprop-2-enyloxy)non-trans-7-ene-3,5-diyne-1,2-diol
2,5-Piperazinedione, 3-(hydroxymethyl)-6-(phenylmethyl)-
3,8-dimethyl-3,3a,4,4a,7a,8,9,9a-octahydro-azuleno[6,5-b]furan-2,5-dione|Dihydromexicamin E
4-Hydroxy-3-(3-methoxy-trans-isopenten-(1)-yl)-acetophenon|4-Hydroxy-3-<3-methoxy-trans-isopenten-(1)-yl>-acetophenon
(2E)-3-[(2S)-2,3-dihydro-2-(2-hydroxypropan-2-yl)-1-benzofuran-5-yl]prop-2-en-1-ol|(S)-demethoxywutaiensol
9-isobutyryloxy-8,10-dehydrothymol
A natural product found in Eupatorium cannabinum subspecies asiaticum.
1-(2-hydroxy-5-(1-methoxyethyl)phenyl)-3-methylbut-2-en-1-one
3-methoxy-2,6-dimethyl-4-(1-methylpropenyl)-7aHfuro[2,3-b]pyran|chenopodolan C
1beta-1-Hydroxy-13-nor-6,9-eremophiladiene-8,11-dione|1beta-hydroxy-6,9-dien-8-oxoeremophil-11-nor-11-ketone
5-(1-Hydroxyethyl)-6-methoxy-2,2-dimethylchromen|5-(1-Hydroxyethyl)-6-methoxy-2,2-dimethylchromene
(2E,8E,12R)-tetradecadiene-4,6-diyne-1,12,14-triol|(6E,12E)-form-6,12-Tetradecadiene-8,10-diyne-1,3,14-triol,|(6E,12E)-tetradecadiene-8,10-diyne-1,3,14-triol|tetradeca-6t,12t-diene-8,10-diyne-1,3,14-triol
2-acetyl-3abeta-methyl-3a,6,7,7abeta-tetrahydro-1H-inden-4-oic acid methyl ester
4-hydroxy-3-methoxy-5-(3,3-dimethylallyl)-acetophenone
1-(2.4-Dihydroxy-3.5-dimethyl-phenyl)-hexen-(4t)-on-(1)|1-(2.4-dihydroxy-3.5-dimethyl-phenyl)-hexen-(4t)-one-(1)|2,3-dihydrosorbicillin|2,3-dihydrosorbicillin|Dihydrosorbicillin
3,5,9a-Trimethyl-2,3,3a,9a-tetrahydro-4H-furo[2,3-b][1]benzopyran-7-ol
erythro-5-(1,2-dihydroxypropyl)-2(S)-isopropenyl-2,3-dihydrobenzofuran
11beta,13-Dihydro-15-Nor-4-oxo-1(5),11(13)-guaiadien-12,8-olide
(4aRS,5RS,6SR)-3-acetyl-4,5,7,8-tetrahydro-6-hydroxy-4a,5-dimethylnaphthalen-2(4aH)-one|3beta-hydroxy-11-noreremophila-6(7),9(10)-diene-8,11-dione
5-Methoxytryptophan
An L-tryptophan derivative that is L-tryptophan with a methoxy substituent at position 5.
3,7-Dimethyl-8,11-dioxo-2E,6E,9E-dodecatrienal
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
S-4-Hydroxymephenytoin
4-Hydroxymephenytoin is a metabolism of an antiepileptic agent mephenytoin, which is used as a CYP2C19 substrate. 4-Hydroxymephenytoin is a metabolism of an antiepileptic agent mephenytoin, which is used as a CYP2C19 substrate.
Leu-cys
A dipeptide composed of L-leucine and L-cysteine joined by a peptide linkage.
FAL 14:5;O2
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
ethyl 2-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetate
4,5-dimethoxy-1,3-bis(methoxymethyl)imidazolidin-2-one
2-METHYL-2-((7-METHYL-2,3-DIHYDRO-1H-INDEN-4-YL)OXY)PROPANOIC ACID
3-(2-Amino-ethyl)-5-methoxy-1H-indole-2-carboxylic acid
2-(2-(benzo[d][1,3]dioxol-5-yl)propan-2-yl)-1,3,4-oxadiazole
7-Methyl-4-(piperazin-1-yl)thieno[3,2-d]pyrimidine
Tacrine hydrochloride
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D002491 - Central Nervous System Agents > D018697 - Nootropic Agents C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors Tacrine hydrochloride is a potent inhibitor of both AChE and BChE, with IC50s of 31 nM and 25.6 nM, respectively. Tacrine hydrochloride is also a NMDAR inhibitor, with an IC50 of 26 μM. Tacrine hydrochloride can be used for the research of Alzheimer’s disease[1][2].
N-(2,4-dimethylphenyl)-2-hydroxyimino-3-oxobutanamide
[(2R,3S,5S)-3-fluoro-5-methoxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
1h-indene-1-acetic acid, 2,3-dihydro-5-methoxy-, ethyl ester
(2S,4S)-4-Amino-1-benzoyl-pyrrolidine-2-carboxylic acid
7-METHOXY-2-METHYL-IMIDAZO[1,2-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
1-ISOPENTYL-1H-PYRIDO[2,3-D][1,3]OXAZINE-2,4-DIONE
N-(2-AMINOPHENYL)-N-(4-METHYLPHENYL)AMINE HYDROCHLORIDE
7-ETHOXYCARBONYLAMINO-1-OXO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
3(2H)-Pyridazinone,6-(3,4-dimethoxyphenyl)-4,5-dihydro-
(R)-2-AMINO-3-(4-METHOXY-1H-INDOL-3-YL)PROPANOIC ACID
Stiripentol
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics
Benzenepropanoic acid, b-oxo-a-propyl-, ethyl ester
Ethyl 5-ethoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
Ethyl 6-ethoxy-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
4-(2-methoxy-5-nitrophenyl)-1,2,3,6-tetrahydropyridine
6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[1,2-c]pyrimidin-4-ylhydrazine
5-[4-(DIMETHYLAMINO)PHENYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
Ethyl 3,5-diamino-1-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylat e
ethyl 2-(5-methoxy-2,3-dihydro-1H-inden-2-yl)acetate
Ethyl 7-Methoxy-1-Methyl-1H-indazole-5-carboxylate
4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoic acid
3-(4-TERT-BUTYLPHENYL)-3-OXO-PROPIONICACIDMETHYLESTER
(2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPIN-1-YL)-CARBAMIC ACID METHYL ESTER
N-(4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-2-YL)PIVALAMIDE
(S)-METHYL 4-((TERT-BUTYLDIMETHYLSILYL)OXY)-2-HYDROXYBUTANOATE
1-PHENYL-5-(1H-PYRROL-1-YL)-1H-PYRAZOLE-4-CARBONITRILE
Ethyl 5-Ethoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
2-HYDROXY-BENZOIMIDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-Phenyl-6,7-dimethylquinoxaline
D000970 - Antineoplastic Agents > D020032 - Tyrphostins
2-Propenoic acid, 2-methyl-, octahydro-2,5-methano-2H-indeno[1,2-b]oxiren-4-yl ester
NSC 319726
NSC319726 (ZMC1) is a mutant p53R175 reactivator; inhibits growth of fibroblasts expressing the p53R175 mutation (IC50 = 8 nM); shows no inhibition for p53 wild-type cells.
4-(2-((TETRAHYDRO-2H-PYRAN-2-YL)OXY)ETHYL)BENZALDEHYDE
1,4,4-Trimethyl-6-nitro-3,4-dihydro-1H-quinolin-2-one
3-Oxo-2-(2-phenylhydrazono)butanoic acid ethyl ester
tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate hydrochloride
ethyl 2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoate
2,5-Cyclohexadiene-1,4-dione, 2,5-bis(1-aziridinyl)-3-(hydroxymethyl)-6-methyl-
Butabarbital sodium
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
6,11-Dihydroquinoxalino[2,3-b]quinoxaline
Fluoflavine (ML-090) is a selective NOX1 inhibitor with an IC50?of 90 nM. Fluoflavine has >100 selectivity for NOX1 over NOX2, NOX3, NOX4 (all IC50>10 μM). ML-090 has an IC50?of 360 nM in HEK293 cells[1].
(3R)-3-{[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}butanoic acid
(5S)-5-Ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidine-2,4-dione
5-(6-Chloro-3-pyridinyl)-9-azabicyclo[4.2.1]non-4-ene
Methyl (2R,3S)-1-methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylate
(S)-2,3-Dihydro-6-(2-hydroxyethyl)-2-(hydroxymethyl)-5,7-dimethyl-1H-inden-1-one
Pyrimido(3,4-a)indole, 1,2,3,4-tetrahydro-7-chloro-2,5-dimethyl-
Trimethylsilyl (2S)-2-[(trimethylsilyl)oxy]propanoate
Cyclo(his-pro)
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors D020011 - Protective Agents > D000975 - Antioxidants D049990 - Membrane Transport Modulators
[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]acetic acid
N-hydroxypentahomomethioninate
Conjugate base of N-hydroxypentahomomethionine.
(2S)-2-amino-3-(1-methoxyindol-3-yl)propanoic acid
(4Z,7Z)-deca-4,7-dien-1-yl hydrogen sulfate
A sulfuric ester obtained by the formal condensation of (4Z,7Z)-deca-4,7-dien-1-ol with sulfuric acid.
5-[3-(dimethylamino)phenyl]-N-methyl-1,3,4-thiadiazol-2-amine
1-Fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-12-ol
N(delta)-hydroxy-N(omega)-methyl-N(omega)-nitroso-L-citrulline
5-Ethyl-5-(4-hydroxyphenyl)-1,3-diazinane-4,6-dione
(3Z)-dec-3-en-1-ylsulfamate
An organic sulfamate oxoanion that is the conjugate base of (3Z)-dec-3-en-1-ylsulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii.
(2R)-2-azaniumyl-3-(5-methoxy-1H-indol-3-yl)propanoate
Tilimycin
A pyrrolobenzodiazepine that is (11aS)-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine which is substituted by an oxo group at position 5 and by hydroxy groups at positions 9 and 11. It is an enterotoxic natural product synthesized via a non-ribosomal peptide synthase in Klebsiella oxytoca.
[(4S)-2-(carbamoyloxymethyl)-4-hydroxy-2-methylpentyl] carbamate
(2S)-2-amino-5-[hydroxy-[methyl(nitroso)carbamoyl]amino]pentanoic acid
Geranyl Phosphate
A polyprenol phosphate that is geraniol in which the hydroxyl hydrogen is replaced by a phospho group.
(+/-)-4-Hydroxy Mephenytoin
4-Hydroxymephenytoin is a metabolism of an antiepileptic agent mephenytoin, which is used as a CYP2C19 substrate. 4-Hydroxymephenytoin is a metabolism of an antiepileptic agent mephenytoin, which is used as a CYP2C19 substrate.
2-Methoxyidazoxan
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
Cyclopentobarbital
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
3-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one
cyclo(L-His-L-Pro)
A homodetic cyclic peptide resulting from the formal condensation of both the amino and acid groups of L-histidine with the acid and amino groups of L-proline. It is a metabolite of thyrotropin-releasing hormone (TRH).
4-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
(1r)-1-[(2r)-5-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-4-yl]ethanol
3-acetyl-8-hydroxy-4a,5-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one
5a,9a-dimethyl-1h,4h,5h,6h,8h,9h-naphtho[1,2-c]furan-3,7-dione
(3r,5s)-5-(deca-1,3,6,8-tetraen-5-yl)-3-hydroxyoxolan-2-one
(3s,6s)-3-benzyl-6-(hydroxymethyl)-3,6-dihydropyrazine-2,5-diol
2-methoxy-3-methyl-6-(4-methylhexa-2,4-dien-2-yl)pyran-4-one
2-methoxy-3-methyl-6-(3-methylhexa-1,3-dien-1-yl)pyran-4-one
(3as,6r,7s,7as)-6-methyl-3-methylidene-2-oxo-7-(prop-1-en-2-yl)-tetrahydro-3ah-1-benzofuran-6-carbaldehyde
9-[(2-methylbut-3-en-2-yl)oxy]non-7-en-3,5-diyne-1,2-diol
4-methoxy-3-methyl-6-[(1e,3e)-3-methylhexa-1,3-dien-1-yl]pyran-2-one
(5as,7s,9as,9br)-7,9b-dimethyl-3h,5ah,6h,7h,8h,9h,9ah-naphtho[1,2-c]furan-1,5-dione
(2e,4z,6e,8z)-5,9-dimethyl-10-oxododeca-2,4,6,8-tetraenoic acid
(2s,3r,5s)-5-ethyl-2,5-dihydroxy-2,3-dimethylhexanedioic acid
(2R,3S)- pterosin C
{"Ingredient_id": "HBIN006500","Ingredient_name": "(2R,3S)- pterosin C","Alias": "(2R,3S)-pterosin C","Ingredient_formula": "C14H18O3","Ingredient_Smile": "CC1C(C2=CC(=C(C(=C2C1=O)C)CCO)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41768;41784","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-methyl-7-phenyl-6H-1,4-diazepine-2,3-dicarbonitrile
{"Ingredient_id": "HBIN011800","Ingredient_name": "5-methyl-7-phenyl-6H-1,4-diazepine-2,3-dicarbonitrile","Alias": "NSC175268; 56984-06-6","Ingredient_formula": "C14H10N4","Ingredient_Smile": "CC1=NC(=C(N=C(C1)C2=CC=CC=C2)C#N)C#N","Ingredient_weight": "234.26","OB_score": "40.11344856","CAS_id": "56984-06-6","SymMap_id": "SMIT09629","TCMID_id": "NA","TCMSP_id": "MOL008322","TCM_ID_id": "NA","PubChem_id": "300512","DrugBank_id": "NA"}
