Exact Mass: 170.097
Exact Mass Matches: 170.097
Found 500 metabolites which its exact mass value is equals to given mass value 170.097,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Levetiracetam
Levetiracetam is an anticonvulsant medication used to treat epilepsy. Levetiracetam may selectively prevent hypersynchronization of epileptiform burst firing and propagation of seizure activity. Levetiracetam binds to the synaptic vesicle protein SV2A, which is thought to be involved in the regulation of vesicle exocytosis. Although the molecular significance of levetiracetam binding to synaptic vesicle protein SV2A is not understood, levetiracetam and related analogs showed a rank order of affinity for SV2A which correlated with the potency of their antiseizure activity in audiogenic seizure-prone mice. C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D018697 - Nootropic Agents D002491 - Central Nervous System Agents > D000927 - Anticonvulsants N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics C26170 - Protective Agent > C1509 - Neuroprotective Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 2564
2-Biphenylol
2-Biphenylol is found in lemon. It is an antifungal agent and preservative. 2-Biphenylol is used for post-harvest control of storage disease in apples, citrus fruit, stone fruit, tomatoes, cucumber and peppers through the use of impregnated wrapping materials or by direct application in a wax. 2-Biphenylol is used in food seasonings. Inhibitory to a wider range of moulds than Biphenyl
4-Biphenylol
CONFIDENCE standard compound; INTERNAL_ID 1154; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4839; ORIGINAL_PRECURSOR_SCAN_NO 4835 CONFIDENCE standard compound; INTERNAL_ID 1154; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4862; ORIGINAL_PRECURSOR_SCAN_NO 4859 CONFIDENCE standard compound; INTERNAL_ID 1154; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4882; ORIGINAL_PRECURSOR_SCAN_NO 4877 CONFIDENCE standard compound; INTERNAL_ID 1154; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4893; ORIGINAL_PRECURSOR_SCAN_NO 4890 CONFIDENCE standard compound; INTERNAL_ID 1154; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4872; ORIGINAL_PRECURSOR_SCAN_NO 4871 CONFIDENCE standard compound; INTERNAL_ID 1154; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4890; ORIGINAL_PRECURSOR_SCAN_NO 4887
Methyl beta-naphthyl ketone
Methyl beta-naphthyl ketone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") 2-Acetonaphthone is an endogenous metabolite.
p-Menth-1-ene-8-thiol
p-Menth-1-ene-8-thiol is found in citrus. p-Menth-1-ene-8-thiol is a powerful flavour constituent of grapefruit juice detectable at 10 4 ppb (equiv. to 10 4 mg per ton of water Powerful flavour constituent of grapefruit juice detectable at 10?4 ppb (equiv. to 10?4 mg per ton of water). p-Menth-1-ene-8-thiol is found in citrus.
1,6,7-Trimethylnaphthalene
1,6,7-trimethylnaphthalene (CAS: 2245-38-7) with formula C10H5(CH3)3 is a solid and is insoluble in water. The molecular weight of 1,6,7-trimethylnaphthalene is 170.25. The melting point of 1,6,7-trimethylnaphthalene is 28C and the boiling point is 285C.
(3xi,6xi)-Cyclo(alanylvalyl)
(3xi,6xi)-Cyclo(alanylvalyl) is found in cocoa and cocoa products. (3xi,6xi)-Cyclo(alanylvalyl) is isolated from roasted cocoa. Isolated from roasted cocoa. (3xi,6xi)-Cyclo(alanylvalyl) is found in cocoa and cocoa products.
Diphenyl ether
Diphenyl ether is found in alcoholic beverages. Diphenyl ether is present in muscat grapes, green tea, vanilla, lemon balm, buckwheat, potato chips and grilled beef. Diphenyl ether is a flavouring ingredient Diphenyl ether is a starting material in the production of phenoxathiin via the Ferrario reaction. Phenoxathiin is used in polyamide and polyimide production. Involving similar reactions, diphenyl ether is a significant side product in the high-pressure hydrolysis of chlorobenzene in the production of phenol. Several polybrominated diphenyl ethers (PBDEs) are useful flame retardants. Of penta-, octa-, and decaBDE, the three most common PBDEs, only deca-BDE is still in widespread use since its ban in the European Union in 2003. Deca-BDE, also known as decabromodiphenyl oxide, is a high-volume industrial chemical with over 450,000 kilograms produced annually in the United States. Decabromodiphenyl oxide is sold under the trade name Saytex 102 as a flame retardant in the manufacture of paints and reinforced plastics Present in muscat grapes, green tea, vanilla, lemon balm, buckwheat, potato chips and grilled beef. Flavouring ingredient
2-Amino-5-phenylpyridine
2-Amino-5-phenylpyridine is a mutagen found in cooked foo 2-Amino-5-phenylpyridine is a mutagenic heterocyclic aromatic amine that is formed by pyrolysis of phenylalanine in proteins. 2-Amino-5-phenylpyridine is in broiled sardines and is considered as potentially carcinogenic[1][2].
1,4-Ipomeadiol
1,4-Ipomeadiol is found in root vegetables. 1,4-Ipomeadiol is produced on Fusarium solani-infected sweet potatoes (Ipomoea batatus
(+/-)-2,8-Epithio-cis-p-menthane
(+/-)-2,8-Epithio-cis-p-menthane is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
2,3 or 10-Mercaptopinane
2,3 or 10-Mercaptopinane is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
Thiogeraniol
Thiogeraniol is a flavouring and perfumery ingredien Flavouring and perfumery ingredient
p-Menth-3-ene-3-thiol
p-Menth-3-ene-3-thiol is a flavouring ingredient. Flavouring ingredient
cis-3-Hexenyl pyruvate
Cis-3-hexenyl pyruvate belongs to alpha-keto acids and derivatives class of compounds. Those are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon. Cis-3-hexenyl pyruvate is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Cis-3-hexenyl pyruvate has a banana peel, cucumber skin, and green taste. cis-3-Hexenyl pyruvate is a flavouring ingredient.
1,4,5-Trimethyl-naphtalene
1,4,5-Trimethyl-naphtalene belongs to the family of Naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
Etiracetam
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D018697 - Nootropic Agents D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Linsidomine
C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D020030 - Nitric Oxide Donors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D004791 - Enzyme Inhibitors
Isoboonein
Cyclopenta[c]pyran-3(1H)-one, hexahydro-6-hydroxy-7-methyl-, (4aR,6S,7R,7aS)- is a natural product found in Caiophora coronata, Cymbaria mongolica, and other organisms with data available.
[4-(hydroxymethyl)-2H,3H,3aH,4H,6aH-cyclopenta[b]furan-5-yl]methanol
7-Hydroxy-9-hydroxymethy-3-oxo-bicyclo[4.3.0]-8-nonene
1-(4-methoxyphenyl)-2,4-pentadiyne|1-(p-Methoxyphenyl)-pentadiin-(2,4)|1-<4-Methoxy-phenyl>-pentadiin-(2,4)
(2E,4E)-2,6-dimethyl-6-hydroxy-hepta-2,4-dien-1-oic acid|litseacubebic acid
1-(2-Hydroxyphenyl)-2,4-hexadiyne|2-(Hexadiin-(2,4)-yl)-phenol|2--phenol
2,4,6-Triazabicyclo[3.2.1]oct-2-ene-7-carboxylicacid,3-amino-,(1R,5S,7S)-(9CI)
3-acetyl-2,2-dimethylcyclobutane-1-carboxylic acid
(Z)-2-(3-Indolyl)vinyl Isocyanide|Indolacrylisonitril
4-Hydroxy-4-(1-hydroxy-1-methylethyl)cyclohexa-2-ene-1-one
1-(3,4-dihydroxy-4-methylcyclohex-1-enyl)ethanone|reticuone
Levetiracetam
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D018697 - Nootropic Agents D002491 - Central Nervous System Agents > D000927 - Anticonvulsants N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics C26170 - Protective Agent > C1509 - Neuroprotective Agent CONFIDENCE standard compound; INTERNAL_ID 1605
2-Acetonaphthone
CONFIDENCE standard compound; INTERNAL_ID 1243; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4862; ORIGINAL_PRECURSOR_SCAN_NO 4859 CONFIDENCE standard compound; INTERNAL_ID 1243; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4890; ORIGINAL_PRECURSOR_SCAN_NO 4887 CONFIDENCE standard compound; INTERNAL_ID 1243; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4839; ORIGINAL_PRECURSOR_SCAN_NO 4835 CONFIDENCE standard compound; INTERNAL_ID 1243; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4872; ORIGINAL_PRECURSOR_SCAN_NO 4871 CONFIDENCE standard compound; INTERNAL_ID 1243; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4893; ORIGINAL_PRECURSOR_SCAN_NO 4890 CONFIDENCE standard compound; INTERNAL_ID 1243; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4882; ORIGINAL_PRECURSOR_SCAN_NO 4877 CONFIDENCE standard compound; INTERNAL_ID 2446 2-Acetonaphthone is an endogenous metabolite.
Etiracetam
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D018697 - Nootropic Agents D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
2-METHYL-6-OXO-CYCLOHEXANECARBOXYLIC ACID METHYL ESTER
Carbamic acid, (5-methyl-3-isoxazolyl)-, ethyl ester
2-Thiazolemethanamine,N-methyl-4-(1-methylethyl)-(9CI)
1H-1,2,4-Triazole-3-carboxylicacid,5-amino-,propylester(9CI)
3-(2-HYDROXY-ETHYL)-6-METHYL-1H-PYRIMIDINE-2,4-DIONE
ETHYL 2-OXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
1H-Imidazole-4-carboxylicacid,2-methoxy-5-methyl-,methylester(9CI)
2,4-Imidazolidinedione,5-methyl-5-(2-methylpropyl)-
dihydro-4,4-dimethyl-5-(1-methylethyl)-2,3-furandione
1H-Pyrazole-3-acetic acid, 4,5-dihydro-5-oxo-, ethyl ester
4,6,8-Trimethylazulene
A member of the class of azulenes that is azulene substituted by methyl groups at positions 4, 6 and 8 respectively.
ethyl 5-methyl-2-oxo-1,3-dihydroimidazole-4-carboxylate
(NE)-N-[(5E)-5-hydroxyimino-3,3-dimethyl-cyclohexylidene]hydroxylamine
Urea,N-hydroxy-N-[2-(1H-imidazol-4-yl)ethyl]- (9CI)
2,2,5,5-TETRAMETHYL-2,5-DIHYDROPYRAZINE-1,4-DIOXIDE
5-[ethoxy(hydroxy)methylidene]-2-methyl-1H-imidazol-4-one
Cyclopropaneacetic acid, 2-formyl-1-(1-methylethyl)- (9CI)
Ethyl 5-hydroxy-1-methyl-1H-pyrazole-4-carboxylate
5-(1-Methoxy-2-methylpropan-2-yl)-isoxazol-3-amine
(1S,4S,5S)-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane
6-amino-1-methyl-5-(methylamino)pyrimidine-2,4-dione
N-(6-METHYL-3-OXO-2,3-DIHYDRO-1,2,4-TRIAZIN-4(5H)-YL)ACETAMIDE
ETHYL 2-METHYL-5-OXO-2,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXYLATE
(3aS,4S,5R,6aR)-Hexahydro-5-hydroxy-4-(hydroxyMethyl)-2(1H)-pentalenone
1-ethyl-5-methyl-4-nitro-1H-pyrazol-3-amine(SALTDATA: FREE)
5-Amino-3-methyl-isoxazole-4-carboxylic acid ethyl ester
1H-Imidazole-4-carboxylicacid,2-(methoxymethyl)-,methylester(9CI)
3,4-BIS(1-METHYLHYDRAZINO)CYCLOBUT-3-ENE-1,2-DIONE
2,2,2-trifluoro-1-N,1-N,1-N,1-N-tetramethylethane-1,1-diamine
methyl 2,2-dimethyl-1-oxidoimidazol-1-ium-4-carboxylate
4-Oxazolecarboxylicacid,2-(aminomethyl)-5-methyl-,methylester(9CI)
Ethyl 5-hydroxy-1-methyl-1H-pyrazole-3-carboxylate
3-CYCLOPROPYL-2-METHYL-3-OXO-PROPIONIC ACID ETHYL ESTER
(S)-3-PHENYL-1-(PHENYLMETHYL)[3,4-BIPIPERIDINE]-2,6-DIONEMONOHYDROCHLORIDE
2-(Aminomethyl)-4-(2-methylpropyl)-(4S)-5(4H)-oxazolone
3-ETHOXY-4-(1-METHYLHYDRAZINO)CYCLOBUT-3-ENE-1,2-DIONE
1H-Imidazole-4-carboxylicacid,1-(2-hydroxyethyl)-,methylester(9CI)
Carbamic acid, [(1R)-1-cyanoethyl]-, 1,1-dimethylethyl ester (9CI)
1-buten-1-yl methyl sulfide
1-(Methylthio)-1-butene is a flavouring ingredient. It is found in roasted peanuts.
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-2-hydroxy-, (S)-(9CI)
1H-Imidazole-4-carboxylicacid,5-hydrazino-,ethylester(9CI)
Cyclohexanecarboxylic acid, 1-methyl-4-oxo-, methyl ester
4-(2H-tetrazol-5-yl)tetraaz-3-ene-2-carboximidamide
[5-(1-Aminoethyl)-4H-[1,2,4]triazol-3-yl]acetic acid hydrochloride
2-N-(2,2,3,3-tetradeuteriocyclopropyl)-1,3,5-triazine-2,4,6-triamine
1-Oxaspiro[2.4]heptane-2-carboxylicacid, ethyl ester
Ethyl 1-methyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate
2-(2-Ethoxy-1-methoxyethyl)furan
A member of the class of furans that is furan substituted by a 2-ethoxy-1-methoxyethyl group at position 2.
7-Methyl-3-oxooct-6-enoic acid
A monounsaturated oxo fatty acid comprising 3-oxooct-6-enoic acid having a methyl substituent at the 7-position.
5,6,7,8-Tetrahydro-imidazo[1,2-A]pyridine-6,7,8-triol
Linsidomine
C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D020030 - Nitric Oxide Donors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D004791 - Enzyme Inhibitors
cis-Linalol-oxide
6,7-epoxylinalool is a member of the class of compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). 6,7-epoxylinalool is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 6,7-epoxylinalool can be found in papaya, which makes 6,7-epoxylinalool a potential biomarker for the consumption of this food product.
(+)-Angelicoidenol
(+)-angelicoidenol is a member of the class of compounds known as bicyclic monoterpenoids. Bicyclic monoterpenoids are monoterpenoids containing exactly 2 rings, which are fused to each other (+)-angelicoidenol is soluble (in water) and a very weakly acidic compound (based on its pKa). (+)-angelicoidenol can be found in ginger, which makes (+)-angelicoidenol a potential biomarker for the consumption of this food product.
(3R)-1-Octen-3-yl acetate
Isolated from Conocephalum japonicum. It is used in perfumery. [CCD].
Octen-1-ol acetate
Octen-1-ol acetate is a member of the class of compounds known as enol esters. Enol esters are ester derivatives of enols. They have the general formula RC=COC(=O)R where R, R = H or organyl group. Octen-1-ol acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Octen-1-ol acetate can be found in sweet basil, which makes octen-1-ol acetate a potential biomarker for the consumption of this food product.
2-Endo-hydroxy-1,8-cineole
A cineole in which the 1,8-cineole skeleton is substituted at C-2 with a hydroxy group oriented endo (R configuration).
(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyethanaminium
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(2S)-2-amino-N-hydroxy-3-(2H-imidazol-4-yl)propanamide
1-carbamimidoyl-1-[(E)-1-oxopropan-2-ylideneamino]guanidine
2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, (2R,5R)-rel-
2-(N,N-Dimethylamino)methyl-3-methylamino-2-buten-4-olide
3-Hydroxy-4-methylenecyclohexanecarboxylic acid methyl ester
2-Phenylphenol
D - Dermatologicals > D08 - Antiseptics and disinfectants > D08A - Antiseptics and disinfectants > D08AE - Phenol and derivatives D009676 - Noxae > D002273 - Carcinogens D000890 - Anti-Infective Agents D016573 - Agrochemicals D004202 - Disinfectants D010575 - Pesticides
Diphenyl oxide
An aromatic ether in which the oxygen is attached to two phenyl substituents. It has been found in muscat grapes and vanilla.
(R)-noradrenaline(1+)
An organic cation that is the conjugate acid of (R)-noradrenaline, obtained by protonation of the priamry amino group; major species at pH 7.3.
2-Amino-5-phenylpyridine
2-Amino-5-phenylpyridine is a mutagenic heterocyclic aromatic amine that is formed by pyrolysis of phenylalanine in proteins. 2-Amino-5-phenylpyridine is in broiled sardines and is considered as potentially carcinogenic[1][2].
N-Methyl-4-phenylpyridinium
A pyridinium ion that is N-methylpyridinium having a phenyl substituent at the 4-position.
Pyridoxamine(2+)
A pyridinium ion obtained by protonation of both nitrogens of pyridoxamine.
(3e,5z,7s)-7-hydroxy-5-(hydroxymethyl)octa-3,5-dien-2-one
(4ar,6s,7r,7ar)-6-hydroxy-7-methyl-hexahydro-1h-cyclopenta[c]pyran-3-one
(4ar,6s,7r,7as)-6-hydroxy-7-methyl-hexahydro-1h-cyclopenta[c]pyran-3-one
1-(3-hydroxyphenyl)-2,4-hexadiyne
{"Ingredient_id": "HBIN001251","Ingredient_name": "1-(3-hydroxyphenyl)-2,4-hexadiyne","Alias": "NA","Ingredient_formula": "C12H10O","Ingredient_Smile": "CC#CC#CCC1=CC(=CC=C1)O","Ingredient_weight": "170.21","OB_score": "NA","CAS_id": "75911-07-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9684","PubChem_id": "101410744","DrugBank_id": "NA"}
1-phenyl-2,4-hexadiyne-1-ol
{"Ingredient_id": "HBIN002978","Ingredient_name": "1-phenyl-2,4-hexadiyne-1-ol","Alias": "NA","Ingredient_formula": "C12H10O","Ingredient_Smile": "CC#CC#CC(C1=CC=CC=C1)O","Ingredient_weight": "170.21 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT17184","TCMID_id": "17109","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5320528","DrugBank_id": "NA"}
2-ISOPROPYLNAPHTHALENE
{"Ingredient_id": "HBIN005862","Ingredient_name": "2-ISOPROPYLNAPHTHALENE","Alias": "SBB007801; 2027-17-0; 68442-08-0; BRN 1099059; Naphthalene, 2-(1-methylethyl)-; NSC166466; EINECS 217-976-0; NSC 166466; Naphthalene, isopropylated; 2-propan-2-ylnaphthalene; 4-05-00-01723 (Beilstein Handbook Reference); beta-Isopropylnaphthalene; 2-(1-Methylethyl)naphthalene; .beta.-Isopropylnaphthalene; HSDB 5863; Naphthalene, 2-isopropyl-; FR-0361; 2-iso-Propylnaphthalene","Ingredient_formula": "C13H14","Ingredient_Smile": "CC(C)C1=CC2=CC=CC=C2C=C1","Ingredient_weight": "170.25 g/mol","OB_score": "31.8537084","CAS_id": "68442-08-0","SymMap_id": "SMIT09993","TCMID_id": "NA","TCMSP_id": "MOL008768","TCM_ID_id": "NA","PubChem_id": "16238","DrugBank_id": "NA"}
7-hydroxy-9-hydroxymethy-3-oxo-bicyclo[4.3.0]-8-nonene
{"Ingredient_id": "HBIN013264","Ingredient_name": "7-hydroxy-9-hydroxymethy-3-oxo-bicyclo[4.3.0]-8-nonene","Alias": "NA","Ingredient_formula": "C9H14O3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15855","TCMID_id": "10208","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
