Exact Mass: 140.0585748
Exact Mass Matches: 140.0585748
Found 500 metabolites which its exact mass value is equals to given mass value 140.0585748,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
1-methyl-4-imidazoleacetate
Methylimidazoleacetic acid is the main metabolite of histamine. This end product of histamine catabolism is formed by N-methylation in the imidazole ring to methylhistamine by histamine methyltransferase (EC 2.1.1.8) and a subsequent oxidative deamination in the side chain by type B monoamine oxidase (EC 1.4.3.4). Based on studies, it is known that as much as 70 to 80 percent of the histamine metabolized in the body is excreted in the urine as methylimidazoleacetic acid. Thus, urinary methylimidazoleacetic acid being the major and specific histamine metabolite is a clear marker of any changes in histamine metabolism in the body. The urinary excretion of methylimidazoleacetic acid is considered a reliable indicator of histamine turnover rate in the body. The excretion of methylimidazoleacetic acid is higher in men than in women. However, this gender difference is abolished when corrected for creatinine excretion. A possible explanation is that basal histamine turnover is related to body size. There is no significant difference in methylimidazoleacetic acid excretion between smokers and non-smokers when analyzing absolute values (mg/24 h). When using methylimidazoleacetic acid values corrected for creatinine excretion female smokers have significantly higher methylimidazoleacetic acid excretion compared to nonsmokers (PMID:11411609, 7130180, 10350179, 10202992). Methylimidazoleacetic acid is the main metabolite of histamine. This end product of histamine catabolism is formed by N-methylation in the imidazole ring to methylhistamine by histamine methyltransferase (EC 2.1.1.8) and a subsequent oxidative deamination in the side chain by type B monoamine oxidase (EC 1.4.3.4). From studies is known that as much as 70 to 80 percent of the histamine metabolized in the body is excreted in the urine as Methylimidazoleacetic acid. Thus, urinary Methylimidazoleacetic acid being the major and specific histamine metabolite is a clear marker of any changes in histamine metabolism in the body. The urinary excretion of methylimidazoleacetic acid is considered a reliable indicator of histamine turnover rate in the body. The excretion of Methylimidazoleacetic acid is higher in men than women however; this gender difference is abolished when corrected for creatinine excretion. A possible explanation is that basal histamine turnover is related to body size. There is no significant difference in Methylimidazoleacetic acid excretion between smokers and non-smokers when analysing absolute values (mg/24 h). When using Methylimidazoleacetic acid values corrected for creatinine excretion female smokers have significantly higher Methylimidazoleacetic acid excretion compared to nonsmokers. (PMID: 11411609, 7130180, 10350179, 10202992) [HMDB]
Gentisyl alcohol
An aromatic primary alcohol that is benzyl alcohol substituted by hydroxy groups at positions 2 and 5. CONFIDENCE Culture of Penicillium eurotium strain
SARIN
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D009676 - Noxae > D011042 - Poisons > D002619 - Chemical Warfare Agents D004791 - Enzyme Inhibitors
Gaboxadol
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018755 - GABA Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000927 - Anticonvulsants C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics Same as: D04282 THIP (Gaboxadol) is a selective extrasynaptic GABAA receptors (eGABARs) agonist (with blood-brain barrier permeability), shows an EC50 value of 13 μM for δ-GABAAR. THIP induces strong tense GABAA-mediated currents in layer 2/3 neurons, but shows on effect on miniature IPSCs. THIP can be used in studies of sleep disorders[1][2][3].
2-Propyl-2,4-pentadienoic acid
2-Propyl-2,4-pentadienoic acid is a metabolite of valproic acid. Valproic acid (VPA) is a chemical compound and an acid that has found clinical use as an anticonvulsant and mood-stabilizing drug, primarily in the treatment of epilepsy, bipolar disorder, and, less commonly, major depression. It is also used to treat migraine headaches and schizophrenia. VPA is a liquid at room temperature, but it can be reacted with a base such as sodium hydroxide to form the salt sodium valproate, which is a solid. (Wikipedia)
5-Phenyl-1,3-pentadiyne
5-Phenyl-1,3-pentadiyne is found in herbs and spices. 5-Phenyl-1,3-pentadiyne is isolated from roots of Artemisia dracunculus (tarragon). Isolated from roots of Artemisia dracunculus (tarragon). 5-Phenyl-1,3-pentadiyne is found in herbs and spices.
4-Vinylcyclohexene dioxide
D009676 - Noxae > D002273 - Carcinogens
Ethyl maltol
Ethyl maltol, also known as 3-hydroxy-2-ethyl-4-pyrone or indium ethylmaltol, is a member of the class of compounds known as pyranones and derivatives. These compounds contain a pyran ring which bears a ketone. Ethyl maltol is soluble (in water) and a very weakly acidic compound (based on its pKa). Ethyl maltol is an organic compound that is a common flavourant in some confectioneries. It is related to the more common flavorant maltol by replacement of the methyl group with an ethyl group. It is a white solid with a sweet smell that can be described as caramelized sugar and cooked fruit (Wikipedia). Ethyl maltol is a flavour enhancer, flavouring agent, and a sweetener. It has 4-6X the potency of 3-hydroxy-2-methyl-4H-pyran-4-one.
Flavour enhancer and flavouring agent, sweetener, 4-6 x potency of 3-Hydroxy-2-methyl-4H-pyran-4-one
Imidazole propionate
Imidazolepropionic acid, also known as deaminohistidine or 4-imidazolylpropionate, belongs to the class of organic compounds known as imidazolyl carboxylic acids and derivatives. These are organic compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an imidazole ring. Imidazolepropionic acid is a very strong basic compound (based on its pKa). Imidazolepropionic acid is a product of histidine metabolism which may involve oxidation or transamination. This compound is found in the urine of rats loaded with histidine (PMID: 6021220). Isolated from the fungus Coprinus atramentarius (common ink cap) Imidazole-5-propionic acid is a histidine metabolite[1].
2-Methoxy-1,3-benzenediol
2-Methoxy-1,3-benzenediol, also known as 2-methoxyresorcinol or 2-O-methylpyrogallol, belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. 2-Methoxy-1,3-benzenediol is an extremely weak basic (essentially neutral) compound (based on its pKa). BioTransformer predicts that 2-methoxy-1,3-benzenediol is a product of 1-(2,4-dihydroxy-3-methoxyphenyl)-2-(3-hydroxy-4-methoxyphenyl)propan-1-one metabolism via a keto-hydrolysis-pattern5 reaction occurring in human gut microbiota and catalyzed by an unspecified-gutmicro enzyme (PMID: 30612223).
3-methoxybenzene-1,2-diol
3-methoxybenzene-1,2-diol is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3-methoxyphenol. It is generated by cyp1a2 enzyme via a hydroxylation-of-benzene-ortho-to-edg reaction. This hydroxylation-of-benzene-ortho-to-edg occurs in humans.
Ethyl furoate
Ethyl furoate belongs to the family of Furoic Acid Derivatives. These are organic compounds containing a furoic acid moiety, whose structure is characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom. Flavouring compound [Superscent]
2-Methyl-(3 or 5 or 6)-(methylthio)pyrazine (mixture of isomers)
2-Methyl-3-(methylthio)pyrazine is found in coffee and coffee products. 2-Methyl-3-(methylthio)pyrazine is a constituent of coffee aroma and flavouring agent *FEMA 3208*, as mixture with regioisomers. Constituent of coffee aroma and flavouring agent *FEMA 3208*, as mixture with regioisomers. 2-Methyl-3-(methylthio)pyrazine is found in coffee and coffee products.
Ethyl 3-furoate
Ethyl 3-furoate belongs to the family of Furoic Acid Derivatives. These are organic compounds containing a furoic acid moiety, whose structure is characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom.
1,3-Dimethyluracil
1,3-Dimethyluracil is a methyl derivative of uric acid, found occasionally in human urine. 1,3-Dimethyluracil is one of the purine component in urinary calculi. Methylated purines originate from the metabolism of methylxanthines (caffeine, theophylline and theobromine). Methyluric acids are indistinguishable from uric acid by simple methods routinely used in clinical laboratories, requiring the use of high-performance liquid chromatography (HPLC). Purine derivatives in urinary calculi could be considered markers of abnormal purine metabolism. The content of a purine derivative in stone depends on its average urinary excretion in the general population, similarity to the chemical structure of uric acid, and content of the latter in stone. This suggests that purines in stones represent a solid solution with uric acid as solvent. It is also plausible that methylxanthines, ubiquitous components of the diet and drugs, are involved in the pathogenesis of urolithiasis. (PMID: 11712316, 15833286, 3506820) [HMDB] 1,3-Dimethyluracil is a methyl derivative of uric acid, found occasionally in human urine. 1,3-Dimethyluracil is one of the purine component in urinary calculi. Methylated purines originate from the metabolism of methylxanthines (caffeine, theophylline and theobromine). Methyluric acids are indistinguishable from uric acid by simple methods routinely used in clinical laboratories, requiring the use of high-performance liquid chromatography (HPLC). Purine derivatives in urinary calculi could be considered markers of abnormal purine metabolism. The content of a purine derivative in stone depends on its average urinary excretion in the general population, similarity to the chemical structure of uric acid, and content of the latter in stone. This suggests that purines in stones represent a solid solution with uric acid as solvent. It is also plausible that methylxanthines, ubiquitous components of the diet and drugs, are involved in the pathogenesis of urolithiasis. (PMID:11712316, 15833286, 3506820). 1,3-Dimethyluracil is a pyrimidone derives from a uracil. 1,3-Dimethyluracil found occasionally in human urine. 1,3-Dimethyluracil shows inhibition activity against hCA I and hCA II (human carbonic anhydrase) with Ki of 316.2 μM and 166.4 μM, respectively[1][2].
3,5-Dihydroxyanisole
3,5-Dihydroxyanisole, also known as 5-methoxyresorcinol or flamenol, belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. 3,5-Dihydroxyanisole is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, 3,5-dihydroxyanisole has been detected, but not quantified in, several different foods, such as annual wild rice, prairie turnips, thistles, grapefruit/pummelo hybrids, and pecan nuts. This could make 3,5-dihydroxyanisole a potential biomarker for the consumption of these foods. BioTransformer predicts that 3,5-dihydroxyanisole is a product of helichrysetin metabolism via a keto-hydrolysis-pattern5 reaction occurring in human gut microbiota and catalyzed by an unspecified-gutmicro enzyme (PMID: 30612223). 5-methoxybenzene-1,3-diol, also known as flamenol or 5-methoxyresorcinol, is a member of the class of compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. 5-methoxybenzene-1,3-diol is soluble (in water) and a very weakly acidic compound (based on its pKa). 5-methoxybenzene-1,3-diol can be found in a number of food items such as chinese mustard, malus (crab apple), broad bean, and nanking cherry, which makes 5-methoxybenzene-1,3-diol a potential biomarker for the consumption of these food products. C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent
Pi-Methylimidazoleacetic acid
Although pi-Methylimidazoleacetic acids isomer (1,4-Methylimidazoleacetic acid) is a known metabolite of Histamine, the origin of N pi-methylimidazoleacetic acid is not certain (PMID 7130180). [HMDB] Although pi-Methylimidazoleacetic acids isomer (1,4-Methylimidazoleacetic acid) is a known metabolite of Histamine, the origin of N pi-methylimidazoleacetic acid is not certain (PMID 7130180).
Furfuryl acetate
Furfuryl acetate is found in alcoholic beverages. Furfuryl acetate is a flavouring ingredient. Furfuryl acetate is present in wheat bread, crisp bread, roasted onion, pork liver, beer, rum, cocoa, coffee, roasted filbert, roasted peanut, roasted almond, shoyu, sukiyake, liquorice and Bourbon vanill Furfuryl acetate is a flavouring ingredient. It is found in wheat bread, crisp bread, roasted onion, pork liver, beer, rum, cocoa, coffee, roasted filbert, roasted peanut, roasted almond, shoyu, sukiyake, liquorice and Bourbon vanilla. Furfuryl acetate can be used in the synthesis of 5-acetoxymethyl-2-vinylfuran and 5-hydroxymethyl-2-vinylfuran[1].
Pyrazineethanethiol
Pyrazineethanethiol is a flavouring ingredient. Flavouring ingredient
2-Methyl-5-(methylthio)pyrazine
2-Methyl-5-(methylthio)pyrazine is a flavouring ingredient with roasted almond/hazelnut flavour. 2-Methyl-5-(methylthio)pyrazine is a component of FEMA 3208 together with regioisomers. Flavouring ingredient with roasted almond/hazelnut flavour. Component of FEMA 3208 together with regioisomers
2-Methyl-6-(methylthio)pyrazine
2-Methyl-6-(methylthio)pyrazine is a flavouring ingredient with roasted almond-hazelnut aroma. 2-Methyl-6-(methylthio)pyrazine is a component of FEMA 3208, together with regioisomers. Flavouring ingredient with roasted almond-hazelnut aroma. Component of FEMA 3208, together with regioisomers
3,4-Diethylthiophene
3,4-Diethylthiophene is found in animal foods. 3,4-Diethylthiophene is a flavour component of various cooked meats. Flavour component of various cooked meats. 3,4-Diethylthiophene is found in animal foods.
(E)-1,3-Undecadiene-5,7,9-triyne|undeca-1,3t-diene-5,7,9-triyne|Undecadien-(1,3t)-triin-(5,7,9)
Undeca-1,9c-dien-3,5,7-triin|undeca-1,9c-diene-3,5,7-triyne
1H-imidazole-1-propanoic acid
An imidazolyl carboxylic acid that is propanoic acid in which one of the methyl hydrogens is substituted by an imidazol-1-yl group. It is a metabolite of histidine found in human urine and faeces.
4-Methoxy-6-methyl-1,3,5-triazin-2-amine
CONFIDENCE standard compound; INTERNAL_ID 2004
2-Methyl-4-amino-6-methoxy-s-triazine
A monoamino-1,3,5-triazine that is 1,3,5-triazin-2-amine substituted by a methoxy group at position 4 and a methyl group at position 6. It is a metabolite of the herbicide thifensulfuron-methyl. CONFIDENCE standard compound; INTERNAL_ID 306; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2618; ORIGINAL_PRECURSOR_SCAN_NO 2617 CONFIDENCE standard compound; INTERNAL_ID 306; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2633; ORIGINAL_PRECURSOR_SCAN_NO 2632 CONFIDENCE standard compound; INTERNAL_ID 306; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2653; ORIGINAL_PRECURSOR_SCAN_NO 2651 CONFIDENCE standard compound; INTERNAL_ID 306; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2626; ORIGINAL_PRECURSOR_SCAN_NO 2625 CONFIDENCE standard compound; INTERNAL_ID 306; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2630; ORIGINAL_PRECURSOR_SCAN_NO 2629 CONFIDENCE standard compound; INTERNAL_ID 2004 CONFIDENCE standard compound; EAWAG_UCHEM_ID 125
1,3-Dimethyluracil
A pyrimidone that is uracil with methyl group substituents at positions 1 and 3. 1,3-Dimethyluracil is a pyrimidone derives from a uracil. 1,3-Dimethyluracil found occasionally in human urine. 1,3-Dimethyluracil shows inhibition activity against hCA I and hCA II (human carbonic anhydrase) with Ki of 316.2 μM and 166.4 μM, respectively[1][2].
1-Methyl-5-imidazoleacetic acid
An imidazolyl carboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 1-methylimidazol-5-yl group.
Furfuryl acetate
Furfuryl acetate can be used in the synthesis of 5-acetoxymethyl-2-vinylfuran and 5-hydroxymethyl-2-vinylfuran[1].
CIS-TETRAHYDRO-1H-CYCLOPENTA[C]FURAN-1,3(3AH)-DIONE
1-Cyclopentene-1-carboxylicacid,5-oxo-,methylester(9CI)
1H-Imidazole-4-carboxylicacid,2-methylhydrazide(9CI)
1H-Imidazole-2-carboxylicacid,1-methyl-,hydrazide(9CI)
POLYPROPYLENE-GRAFT-MALEIC ANHYDRIDE, AV ERAGE MW CA. 9,100
1H-Pyrazole-3-carboxylicacid,4-methyl-,hydrazide(9CI)
1H-Imidazole-1-carboxylicacid,2-methyl-,methylester(9CI)
1H-Imidazole-4-carboximidamide,2,3-dihydro-1-methyl-2-oxo-(9CI)
2(1H)-Pyrimidinone, 4-amino-6-(methylamino)- (7CI)
1H-Imidazole-4-carboxylicacid,5-methyl-,hydrazide(9CI)
Alanine, 3-amino-, hydrochloride (1:1)
C3H9ClN2O2 (140.03525240000002)
Alanine, 3-amino-, hydrochloride (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=54897-59-5 (retrieved 2024-07-09) (CAS RN: 54897-59-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). 2,3-Diaminopropanoic acid hydrochloride is an endogenous metabolite.
1H-Pyrazole-3-carboxylicacid,4-methyl-,methylester(9ci)
2-Oxabicyclo[3.1.0]hex-3-ene-6-carboxylicacid,methylester(7CI)
1H-Pyrazole-5-carboxylicacid,1-methyl-,hydrazide(9CI)
1H-IMIDAZOLE-5-CARBOXYLIC ACID, 4-METHYL-, METHYL ESTER
1H-Pyrazole-1-carboximidamide,5-hydroxy-3-methyl-(9CI)
2(3H)-Furanone, 4-ethynyldihydro-5-hydroxy-3-methyl- (9CI)
1H-Pyrazole-3-carboxylicacid,1-methyl-,hydrazide(9CI)
Pyrrole-3-carboxylic acid, 5-amino-2-methyl- (8CI)
Ethanone, 2-amino-1-(5-amino-1H-imidazol-4-yl)- (9CI)
1-Cyclopentene-1-carboxylicacid,3-oxo-,methylester(9CI)
4-(1H-PYRAZOL-1-YLMETHYL)PIPERIDINE DIHYDROCHLORIDE
3-(2-Methylidenecyclopropyl)-2-oxopropanoic acid
D009676 - Noxae > D011042 - Poisons > D007005 - Hypoglycins
gaboxadol
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018755 - GABA Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000927 - Anticonvulsants C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics Same as: D04282 THIP (Gaboxadol) is a selective extrasynaptic GABAA receptors (eGABARs) agonist (with blood-brain barrier permeability), shows an EC50 value of 13 μM for δ-GABAAR. THIP induces strong tense GABAA-mediated currents in layer 2/3 neurons, but shows on effect on miniature IPSCs. THIP can be used in studies of sleep disorders[1][2][3].
AI3-11016
Furfuryl acetate can be used in the synthesis of 5-acetoxymethyl-2-vinylfuran and 5-hydroxymethyl-2-vinylfuran[1].
(2e)-2-Ethylidene-4-Hydroxy-5-Methylfuran-3(2h)-One
2-Aminomuconate 6-semialdehyde(1-)
Conjugate base of 2-aminomuconic 6-semialdehyde arsing from deprotonation of the carboxylic acid function. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
3-(1H-imidazol-4-yl)propanoic acid
Imidazole-5-propionic acid is a histidine metabolite[1].
flamenol
A member of the class of resorcinols that is phloroglucinol in which one of the phenolic hydrogens has been replaced by a methyl group.
3,5-dimethyluracil
A pyrimidone that is uracil with methyl group substituents at positions 3 and 5.
SARIN
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D009676 - Noxae > D011042 - Poisons > D002619 - Chemical Warfare Agents D004791 - Enzyme Inhibitors
1,5-dimethyluracil
A pyrimidone that is uracil with methyl group substituents at positions 1 and 5.
O(4)-methylthymine
A methylthymine in which the methyl group is located at the O4-position.
(2E)-2-ethylidene-4-hydroxy-5-methyl-3(2H)-furanone
A member of the class of furans that is (2E)-2-ethylidenefuran-3(2H)-one carrying additional hydroxy and methyl substituents at positions 4 and 5 respectively.
1-Methyl-4-imidazoleacetic acid
A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a 1-methyl-1H-imidazol-4-yl group.
beta-(methylenecyclopropyl)pyruvic acid
A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens has been replaced by a methylenecyclopropyl group.
5-hydroxy-3-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-one
(1r,5s,6r)-5-hydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-one
1H-Cyclopropa[a]naphthalene
{"Ingredient_id": "HBIN002558","Ingredient_name": "1H-Cyclopropa[a]naphthalene","Alias": "NA","Ingredient_formula": "C11H8","Ingredient_Smile": "C1C2=C1C3=CC=CC=C3C=C2","Ingredient_weight": "140.18 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38212","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "12343165","DrugBank_id": "NA"}
1H-Cycloprop[e]azulene
{"Ingredient_id": "HBIN002562","Ingredient_name": "1H-Cycloprop[e]azulene","Alias": "NA","Ingredient_formula": "C11H8","Ingredient_Smile": "C1C2=CC=CC3=CC=CC3=C21","Ingredient_weight": "140.18 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36579","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "15549266","DrugBank_id": "NA"}