Exact Mass: 234.0905
Exact Mass Matches: 234.0905
Found 500 metabolites which its exact mass value is equals to given mass value 234.0905,
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.
2-[(2-Aminoethylcarbamoyl)methyl]-2-hydroxybutanedioate
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)
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
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]
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.
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.
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.
(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
2-Methoxyidazoxan
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
N-(Carboxymethyl)-N-(2-((carboxymethyl)amino)ethyl)glycine
Cyclopentobarbital
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
(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
trans-Undecen-2-diin-4,6-disaeure-1,11-dimethylester
2,2-Dimethyl-5-hydroxy-2H-1-benzopyran-6-carboxylic acid methyl ester
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
2,5-Piperazinedione, 3-(hydroxymethyl)-6-(phenylmethyl)-
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
5-Methoxytryptophan
An L-tryptophan derivative that is L-tryptophan with a methoxy substituent at position 5.
(2R)-5-methoxy-2-methyl-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one
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.
(S)-2,3-Dihydro-6-hydroxy-5-(hydroxyacetyl)-2-isopropenylbenzofuran
Methyl (2R*,3S*)-2,3-dihydro-3-hydroxy-2-isopropenyl-5-benzofurancarboxylate
1,4-dihydroxy-N-imino-3-methylquinoxaline-2-carboxamide
1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylic acid
3-(2-Amino-ethyl)-5-methoxy-1H-indole-2-carboxylic acid
methyl 4-(4-fluorophenyl)-2-methyl-1H-imidazole-5-carboxylate
2-(2-(benzo[d][1,3]dioxol-5-yl)propan-2-yl)-1,3,4-oxadiazole
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
7-Methyl-4-(piperazin-1-yl)thieno[3,2-d]pyrimidine
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
N-(2,4-dimethylphenyl)-2-hydroxyimino-3-oxobutanamide
Benzenepropanoic acid, a-acetyl-b-oxo-, ethyl ester
6-METHOXY-2H-CHROMENE-3-CARBOXYLIC ACID 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
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
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
1,2-Diazenedicarboxylic acid, 1,2-bis(2-methoxyethyl) ester
5-[4-(DIMETHYLAMINO)PHENYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
Ethyl 7-Methoxy-1-Methyl-1H-indazole-5-carboxylate
1-Benzyl-5-hydroxymethyl-2-methylthio-1H-imidazole
4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoic acid
(2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPIN-1-YL)-CARBAMIC ACID METHYL ESTER
1-PHENYL-5-(1H-PYRROL-1-YL)-1H-PYRAZOLE-4-CARBONITRILE
Ethyl 5-Ethoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
9-((2R,5S)-5-(HYDROXYMETHYL)-2,5-DIHYDROFURAN-2-YL)-3H-PURIN-6(9H)-ONE
2-HYDROXY-BENZOIMIDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-(2,4-Dioxo-1,4-dihydroquinazolin-3(2H)-yl)-acetohydrazide
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.
1,4,4-Trimethyl-6-nitro-3,4-dihydro-1H-quinolin-2-one
3-Oxo-2-(2-phenylhydrazono)butanoic acid ethyl ester
ethyl 2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoate
1-(5-ACETYL-3-ALLYL-2,4-DIHYDROXYPHENYL)ETHAN-1-ONE
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].
(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
Pyrimido(3,4-a)indole, 1,2,3,4-tetrahydro-7-chloro-2,5-dimethyl-
[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]acetic acid
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
(2S)-2-amino-3-(1-methoxyindol-3-yl)propanoic acid
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
5-[3-(dimethylamino)phenyl]-N-methyl-1,3,4-thiadiazol-2-amine
3-[4-(1-Carboxylatoethyl)phenyl]-2-methylpropanoate
N(delta)-hydroxy-N(omega)-methyl-N(omega)-nitroso-L-citrulline
5-Ethyl-5-(4-hydroxyphenyl)-1,3-diazinane-4,6-dione
(2R)-2-azaniumyl-3-(5-methoxy-1H-indol-3-yl)propanoate
(2s)-2-{2-[(2-Aminoethyl)amino]-2-Oxoethyl}-2-Hydroxybutanedioic Acid
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.
(2S)-2-amino-5-[hydroxy-[methyl(nitroso)carbamoyl]amino]pentanoic acid
Benzoic acid, 3-methoxy-5-methyl-4-(1-oxo-2-butenyl)-
2-Hydroxy-4-oxo-6-phenyl-5-hexenoic acid methyl ester
Geranyl Phosphate
A polyprenol phosphate that is geraniol in which the hydroxyl hydrogen is replaced by a phospho group.
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.
(+/-)-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
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
(3s,6s)-3-benzyl-6-(hydroxymethyl)-3,6-dihydropyrazine-2,5-diol
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"}
