Exact Mass: 234.0748
Exact Mass Matches: 234.0748
Found 500 metabolites which its exact mass value is equals to given mass value 234.0748,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
1'-Acetoxychavicol
1-Acetoxychavicol is found in herbs and spices. 1-Acetoxychavicol is a constituent of Acorus calamus (sweet flag). Constituent of Acorus calamus (sweet flag). 1-Acetoxychavicol is found in herbs and spices and root vegetables.
Coixinden B
Constituent of Coix lacrima-jobi variety ma-yuen. Coixinden B is found in tea, alcoholic beverages, and coffee and coffee products. Coixinden B is found in alcoholic beverages. Coixinden B is a constituent of Coix lacrima-jobi var. ma-yuen.
ethylenediaminetriacetic acid
An ethylenediamine derivative in which three of the four amine protons of ethylenediamine are replaced by carboxymethyl groups.
Phenelzine sulfate
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor
2-[(2-Aminoethylcarbamoyl)methyl]-2-hydroxybutanedioate
1'-Acetoxychavicol acetate
1-(4-Hydroxyphenyl)-2-propen-1-ol; (±)-form, Di-Ac is found in herbs and spices. 1-(4-Hydroxyphenyl)-2-propen-1-ol; (±)-form, Di-Ac is a constituent of Alpinia galanga (greater galangal). Constituent of Alpinia galanga (greater galangal). 1S-Acetoxychavicol acetate is found in herbs and spices. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics
(2Z,4'Z)-2-(5-Methylthio-4-penten-2-ynylidene)-1,6-dioxaspiro[4.4]non-3-ene
(2Z,4E)-2-(5-Methylthio-4-penten-2-ynylidene)-1,6-dioxaspiro[4.4]non-3-ene is found in herbs and spices. (2Z,4E)-2-(5-Methylthio-4-penten-2-ynylidene)-1,6-dioxaspiro[4.4]non-3-ene is isolated from Chrysanthemum coronarium (chop-suey greens
gamma-Glutamylserine
gamma-Glutamylserine is a dipeptide composed of gamma-glutamate and serine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. gamma-Glutamylserine 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.
Artemidiol
Artemidiol is found in herbs and spices. Artemidiol is a constituent of Artemisia dracunculus (tarragon)
Methyl (2R*,3S*)-2,3-dihydro-3-hydroxy-2-isopropenyl-5-benzofurancarboxylate
Methyl (2R*,3S*)-2,3-dihydro-3-hydroxy-2-isopropenyl-5-benzofurancarboxylate is a constituent of the famine food Pandanus odoratissimus. Constituent of the famine food Pandanus odoratissimus.
Glutamylserine
Glutamylserine is a dipeptide composed of glutamate and serine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamylserine 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.
Serylglutamic acid
Serylglutamic acid is a dipeptide composed of serine and glutamic acid. 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.
Threonylaspartic acid
Threonylaspartic acid is a dipeptide composed of threonine and aspartic acid. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
4,4'-methanol-bisbenzonitrile
4,4-methanol-bisbenzonitrile is a metabolite of letrozole. Letrozole (trade name Femara) is an oral non-steroidal aromatase inhibitor for the treatment of hormonally-responsive breast cancer after surgery. (Wikipedia)
L-beta-aspartyl-L-threonine
L-beta-aspartyl-l-threonine is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha Amino Acids and Derivatives. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom. It is found in urine (PMID: 3782411). A dipeptide found in urine (PMID: 3782411). This is a proteolytic breakdown product of larger proteins. [HMDB]
Aspartyl-Threonine
Aspartyl-Threonine is a dipeptide composed of aspartate and threonine. 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.
Cysteinylhydroxyproline
Cysteinylhydroxyproline is a dipeptide composed of cysteine and hydroxyproline. 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.
Hydroxyprolyl-Cysteine
Hydroxyprolyl-Cysteine is a dipeptide composed of hydroxyproline 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.
(S)-2,3-Dihydro-6-hydroxy-5-(hydroxyacetyl)-2-isopropenylbenzofuran
(S)-2,3-Dihydro-6-hydroxy-5-(hydroxyacetyl)-2-isopropenylbenzofuran is found in fats and oils. (S)-2,3-Dihydro-6-hydroxy-5-(hydroxyacetyl)-2-isopropenylbenzofuran is a constituent of Madia sativa (Chile tarweed)
1-Isopropyl citrate
1-Isopropyl citrate is a sequestrant, antioxidant, solvent and vehicle in margarine manufacture. Sequestrant, antioxidant, solvent and vehicle in margarine manuf.
2-Isopropyl citrate
2-Isopropyl citrate is a sequestrant and antioxidant for margarine and other foodstuffs. It is a plasticiser for food contact packaging. Sequestrant and antioxidant for margarine and other foodstuffs. Plasticiser for food contact packaging
N-(Carboxymethyl)-N-(2-((carboxymethyl)amino)ethyl)glycine
2-(4'-methylthio)butylmalate
2-(4-methylthio)butylmalate is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 2-(4-methylthio)butylmalate can be found in a number of food items such as fenugreek, chinese cinnamon, kumquat, and rapini, which makes 2-(4-methylthio)butylmalate a potential biomarker for the consumption of these food products.
3-(4'-methylthio)butylmalate
3-(4-methylthio)butylmalate is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 3-(4-methylthio)butylmalate can be found in a number of food items such as broccoli, yellow zucchini, pepper (spice), and sesbania flower, which makes 3-(4-methylthio)butylmalate a potential biomarker for the consumption of these food products.
(2R)-5-Methoxy-2-methyl-2,3,8,9-tetrahydro-4H-furo[2,3-H]chromen-4-one
4-[2-(3-Cyano-2-pyridinyl)hydrazino]-4-oxobutanoic acid
4-Amino-1-(2-furylmethyl)-2-(methylthio)-1H-imidazole-5-carbonitrile
trans-Undecen-2-diin-4,6-disaeure-1,11-dimethylester
2,2-Dimethyl-5-hydroxy-2H-1-benzopyran-6-carboxylic acid methyl ester
(+)-(Z)-2-(2-Thienylmethylene)-1,6-dioxaspiro[4.5]dec-3-ene|(-)-(Z)-2-(2-Thienylmethylene)-1,6-dioxaspiro[4.5]dec-3-ene|(R,S)-2-(2-thienylmethylene)-1,6-dioxaspiro<4.5>dec-3-ene|(R,S)-2-(2-thienylmethylene)-1,6-dioxaspiro[4.5]dec-3-ene|(??)-(Z)-2-(2-Thienylmethylene)-1,6-dioxaspiro[4.5]dec-3-ene|2-(2-thienylmethylene)-1,6-dioxaspiro[4.5]dec-3-ene
2-Isopropyliden-4,6-dimethoxy-benzofuran-3-on|2-Isopropyliden-4,6-dimethoxy-cumaranon|2-isopropylidene-4,6-dimethoxy-benzofuran-3-one|4,6-dimethoxy-2-isopropylidene-3-oxo-2,3-dihydrobenzofurane
7-(hydroxyphenylmethyl)-2,6-dioxabicyclo[3.2.1]-octan-3-one|goniofupyrone A
3-(6-methoxybenzofuran-5-yl)propionic acid methyl ester
5-Hydroxy-7-O-3-methyl-but-2-enylphthalide|Anaphatol
7-Acetyl-2,3-dihydro-2-isopropenyl-3,6-benzofurandiol
(1S*,5S*,7R*,8R*)-8-hydroxy-7-phenyl-2,6-dioxabicyclo[3,3,1]nonan-3-one|leiocarpin A
1-[[2-[1-(Hydroxymethyl)ethenyl]-6-hydroxy-2,3-dihydrobenzofuran]-5-yl]ethanone
2-acetyl-5-(1xi-hydroxyethyl)-6-methoxybenzofuran|2-acetyl-5-(1xi-hydroxyrthyl)-6-hydroxybenzofuran
nigerapyrone C
A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4 and a 3-methyl-5-oxohexa-1,3-dien-1-yl group at position 6. It has been isolated from an endophytic fungus Aspergillus niger.
8-Hydroxy-3-methylene-4,5-dimethyl-6-methoxy-3,4-dihydro-1H-2-benzopyran-1-one
6-methoxy-2,2-dimethyl-7,8-methylenedioxy-2H-chromene|myriachromene
6-Acetyl-1,3-dimethyllumazin|6-acetyl-1,3-dimethyllumazine|6-Acetyl-1,3-dimethylpteridine-2,4(1H,3H)-dione
beta-Methyl-5-acetyl-6-hydroxy-2-benzofuranethanol
6-acetyl-5-hydroxy-2-methyl-2-hydroxymethyl-2h-chromene
6,7-Dihydroxy-2-isopropenyl-5-acetyl-cumaran|7-Hydroxy-2,3-dihydroeuparin
1-[2-(1-Methyl-1,2-dihydroxyethyl)benzofuran-5-yl]ethanone
7-hydroxy-3-(2-hydroxypropyl)-5-methylisochromen-1-one
(2R)-5-methoxy-2-methyl-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one
C13H14O4_(2R)-2-[(1E,3E)-5-Hydroxy-1,3-pentadien-1-yl]-2,3-dihydro-1-benzofuran-5,7-diol
(2R)-5-methoxy-2-methyl-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one
1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-1,4-dihydro-7-hydroxy-4-oxo-
(S)-2,3-Dihydro-6-hydroxy-5-(hydroxyacetyl)-2-isopropenylbenzofuran
(2Z,4'Z)-2-(5-Methylthio-4-penten-2-ynylidene)-1,6-dioxaspiro[4.4]non-3-ene
Methyl (2R*,3S*)-2,3-dihydro-3-hydroxy-2-isopropenyl-5-benzofurancarboxylate
1,4-dihydroxy-N-imino-3-methylquinoxaline-2-carboxamide
(2,5-DIOXO-1-PHENYL-IMIDAZOLIDIN-4-YL)-ACETIC ACID
1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylic acid
3-AMINOMETHYL-1,2,3,4-TETRAHYDROISOQUINOLINE DIHYDROCHLORIDE
6-pyridin-3-ylpyridine-2-carboximidamide,hydrochloride
6-pyridin-4-ylpyridine-2-carboximidamide,hydrochloride
ethyl 2-[5-(trifluoromethyl)pyrimidin-2-yl]acetate
2,3-difluoro-4-(phenylhydrazinylidene)cyclohexa-2,5-dien-1-one
methyl 4-(4-fluorophenyl)-2-methyl-1H-imidazole-5-carboxylate
ethyl 2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylate
7-METHOXY-2H-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER
5-Amino-1-(2,5-difluorophenyl)-3-methyl-1H-pyrazole-4-carbonitrile
5-Amino-1-(2,4-difluorophenyl)-3-methyl-1H-pyrazole-4-carbonitrile
Benzaldehyde, 2-fluoro-5-methoxy-4-(4-methyl-1H-imidazol-1-yl)
2-(Trimethylsilyl)furo[3,2-b]pyridine-6-carbaldehyde oxime
Phenol, 3-(1,1-dimethylethoxy)-5-(trifluoromethyl)
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].
3-(4-FLUOROPHENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
6-ethoxy-4-oxo-1H-1,5-naphthyridine-3-carboxylic acid
Benzenepropanoic acid, a-acetyl-b-oxo-, ethyl ester
N-(4-chlorophenyl)-1-methylimidazole-4-carboximidamide
6-pyridin-2-ylpyridine-2-carboximidamide,hydrochloride
Dimethyl Pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
6-METHOXY-2H-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER
ETHYL 4-HYDROXY-2-OXO-1,2-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXYLATE
N-(2-AMINOPHENYL)-N-(4-METHYLPHENYL)AMINE HYDROCHLORIDE
ethyl-2-trifluoromethyl-4-methyl-5-pyrimidine carboxylate
5-CHLORO-1,3-DIMETHYL-4-(2-PHENYLDIAZ-1-ENYL)-1H-PYRAZOLE
4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
1,2-Diazenedicarboxylic acid, 1,2-bis(2-methoxyethyl) ester
4-propan-2-yl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
Methisazone
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AA - Thiosemicarbazones D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent
1-Benzyl-5-hydroxymethyl-2-methylthio-1H-imidazole
1-PHENYL-5-(1H-PYRROL-1-YL)-1H-PYRAZOLE-4-CARBONITRILE
2-amino-2-{4-[(trifluoromethyl)oxy]phenyl}acetamide
9-((2R,5S)-5-(HYDROXYMETHYL)-2,5-DIHYDROFURAN-2-YL)-3H-PURIN-6(9H)-ONE
2-(2,4-Dioxo-1,4-dihydroquinazolin-3(2H)-yl)-acetohydrazide
5-Trifluoromethyl-pyridine-2-carboxylic acid methoxy-methyl-amide
BU 239 hydrochloride,2-(4,5-Dihydroimidazol-2-yl)quinoxalinehydrochloride
n-hydroxy-2-[3-(trifluoromethyl)phenoxy]ethanimidamide
3,4-Dihydro-7-methoxy-4-oxoquinazolin-6-yl acetate
1-(5-ACETYL-3-ALLYL-2,4-DIHYDROXYPHENYL)ETHAN-1-ONE
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].
5-(6-Chloro-3-pyridinyl)-9-azabicyclo[4.2.1]non-4-ene
Ethyl 9-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylate
Pyrimido(3,4-a)indole, 1,2,3,4-tetrahydro-7-chloro-2,5-dimethyl-
5-Methoxy-2-methyl-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one
(S)-4-Amino-5-(((S)-1-carboxy-2-hydroxyethyl)amino)-5-oxopentanoic acid
2-[2-(2-Azaniumylethoxy)-2-oxoethyl]-2-hydroxybutanedioate
7-Fluoro-6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
(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.
7-Hydroxy-3-(2-hydroxy-propyl)-5-methyl-isochromen-1-one
(2R)-2-[(1E,3E)-5-hydroxypenta-1,3-dienyl]-2,3-dihydro-1-benzofuran-5,7-diol
4-[5-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine
3-[4-(1-Carboxylatoethyl)phenyl]-2-methylpropanoate
(2s)-2-{2-[(2-Aminoethyl)amino]-2-Oxoethyl}-2-Hydroxybutanedioic Acid
2-[(4-hydroxy-1H-indole-3-carbonyl)amino]acetic acid
2-[(7-hydroxy-1H-indole-3-carbonyl)amino]acetic acid
2-[(5-hydroxy-1H-indole-3-carbonyl)amino]acetic acid
2-[(6-hydroxy-1H-indole-3-carbonyl)amino]acetic acid
Benzoic acid, 3-methoxy-5-methyl-4-(1-oxo-2-butenyl)-
Perfluoromethane sulfonamido propyl dimethyl amine
2-Hydroxy-4-oxo-6-phenyl-5-hexenoic acid methyl ester
N-[(2s)-2-Amino-2-Carboxyethyl]-L-Glutamic Acid
An L-glutamic acid derivative obtained by replacement of one of the amino hydrogens of L-glutamic acid has been replaced by a (2S)-2-amino-2-carboxyethyl group.
Galangal acetate
An acetate ester that is chavicol acetate substituted by an acetoxy group at position 1.
(2Z,4Z)-2-(5-Methylthio-4-penten-2-ynylidene)-1,6-dioxaspiro[4.4]non-3-ene
carboxyibuprofen(2-)
A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of carboxyibuprofen.
(2s,4s)-4,5-dihydroxy-2-(2-oxopropyl)-3,4-dihydro-2h-naphthalen-1-one
3-hydroxy-4-methylidene-3-(octa-2,4,6-trienoyl)oxolan-2-one
1-[3,6-dihydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-7-yl]ethanone
1-[2-(1,2-dihydroxypropan-2-yl)-1-benzofuran-5-yl]ethanone
(2r)-5-acetyl-6-hydroxy-2-isopropyl-2h-1-benzofuran-3-one
1-[3,6-dihydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
1-[7-hydroxy-2-(hydroxymethyl)-2-methylchromen-6-yl]ethanone
4-[(2e)-but-2-enoyl]-3-methoxy-5-methylbenzoic acid
2-hydroxy-1-(5-hydroxy-2,2-dimethylchromen-6-yl)ethanone
6-acetyl-2-hydroxy-2,3-dimethyl-3h-1-benzopyran-4-one
7-[hydroxy(phenyl)methyl]-2,6-dioxabicyclo[3.2.1]octan-3-one
1-[(2r)-4-hydroxy-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
(5s)-5-hydroxy-2-(3-hydroxy-5-methoxyphenyl)-3-methylcyclopent-2-en-1-one
1-[5-(2-formlfuryl)methyl] dihydrogen- 2-hydroxy-propane-1,2,3-tricarboxylate 2,3-diethyl ester
{"Ingredient_id": "HBIN001582","Ingredient_name": "1-[5-(2-formlfuryl)methyl] dihydrogen- 2-hydroxy-propane-1,2,3-tricarboxylate 2,3-diethyl ester","Alias": "NA","Ingredient_formula": "C9H14O7","Ingredient_Smile": "COC(=O)CC(CC(=O)OC)(C(=O)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42484","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-(2-hydroxypropyl)-5-methyl-chromone-7-O-β-D- glucopyranoside
{"Ingredient_id": "HBIN003739","Ingredient_name": "2-(2-hydroxypropyl)-5-methyl-chromone-7-O-\u03b2-D- glucopyranoside","Alias": "NA","Ingredient_formula": "C13H14O4","Ingredient_Smile": "CC1=CC(=CC2=C1C(=O)C=C(O2)CC(C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36225","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-[(2S)-2-Hydroxypropyl]-5-methyl-7-hydroxy-4H-1-benzopyran-4-one
{"Ingredient_id": "HBIN003768","Ingredient_name": "2-[(2S)-2-Hydroxypropyl]-5-methyl-7-hydroxy-4H-1-benzopyran-4-one","Alias": "NA","Ingredient_formula": "C13H14O4","Ingredient_Smile": "CC1=CC(=CC2=C1C(=O)C=C(O2)CC(C)O)O","Ingredient_weight": "234.25 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10216","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "45272307","DrugBank_id": "NA"}
2- hydroxy- 1, 2, 3- propane tricarboxylic acid- 2- etester
{"Ingredient_id": "HBIN005712","Ingredient_name": "2- hydroxy- 1, 2, 3- propane tricarboxylic acid- 2- etester","Alias": "NA","Ingredient_formula": "C9H14O7","Ingredient_Smile": "COC(=O)CC(CC(=O)OC)(C(=O)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41863","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2's)-7-hydroxy-2-(2'-hydroxypropyl)-5-methylchromone
{"Ingredient_id": "HBIN006787","Ingredient_name": "(2's)-7-hydroxy-2-(2'-hydroxypropyl)-5-methylchromone","Alias": "NA","Ingredient_formula": "C13H14O4","Ingredient_Smile": "CC1=CC(=CC2=C1C(=O)C=C(O2)CC(C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10217","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"}
6-acetyl-2-hydroxymethyl-2-methylchroman-4-one
{"Ingredient_id": "HBIN012160","Ingredient_name": "6-acetyl-2-hydroxymethyl-2-methylchroman-4-one","Alias": "NA","Ingredient_formula": "C13H14O4","Ingredient_Smile": "CC(=O)C1=CC2=C(C=C1)OC(CC2=O)(C)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "424","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-acetyl-5-hydroxy-2-(1-hydroxy-2-propenyl)-2,3-dihydrobenzofuran
{"Ingredient_id": "HBIN012162","Ingredient_name": "6-acetyl-5-hydroxy-2-(1-hydroxy-2-propenyl)-2,3-dihydrobenzofuran","Alias": "NA","Ingredient_formula": "C13H14O4","Ingredient_Smile": "CC(=O)C1=CC2=C(CC(O2)C(=C)CO)C=C1O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "416","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(6r,7r,8r)-goniodiol
{"Ingredient_id": "HBIN012780","Ingredient_name": "(6r,7r,8r)-goniodiol","Alias": "NA","Ingredient_formula": "C13H14O4","Ingredient_Smile": "C1C=CC(=O)OC1C(C(C2=CC=CC=C2)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8933","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-hydroxy-2-(2-hydroxy)propyl-5-methyl-benzopyran-γ-one
{"Ingredient_id": "HBIN013204","Ingredient_name": "7-hydroxy-2-(2-hydroxy)propyl-5-methyl-benzopyran-\u03b3-one","Alias": "NA","Ingredient_formula": "C13H14O4","Ingredient_Smile": "NA","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15858","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-methoxy-2,2-dimethylchromene-6-carboxylic acid
{"Ingredient_id": "HBIN013308","Ingredient_name": "7-methoxy-2,2-dimethylchromene-6-carboxylic acid","Alias": "NA","Ingredient_formula": "C13H14O4","Ingredient_Smile": "CC1(C=CC2=CC(=C(C=C2O1)OC)C(=O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13833","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(+)-9-deoxygoniopypyrone
{"Ingredient_id": "HBIN014084","Ingredient_name": "(+)-9-deoxygoniopypyrone","Alias": "NA","Ingredient_formula": "C13H14O4","Ingredient_Smile": "C1C2CC(=O)OC1C(C(O2)C3=CC=CC=C3)O","Ingredient_weight": "234.25 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5178","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11207053","DrugBank_id": "NA"}
anticancer alkaloid pmv70p691-051
{"Ingredient_id": "HBIN016309","Ingredient_name": "anticancer alkaloid pmv70p691-051","Alias": "NA","Ingredient_formula": "C15H10N2O","Ingredient_Smile": "C1=CC=C2C(=C1)C3=C(N2)C(=O)C4=CC=CC=C4N3","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1381","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
