Exact Mass: 180.0786402
Exact Mass Matches: 180.0786402
Found 500 metabolites which its exact mass value is equals to given mass value 180.0786402,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Isopropyl 4-hydroxybenzoate
Isopropylparaben is a 4-hydroxybenzoate ester.
Coniferyl alcohol
Coniferyl alcohol (CAS: 458-35-5), also known as coniferol, 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. Coniferyl alcohol is an organic compound. When copolymerized with related aromatic compounds, coniferyl alcohol forms lignin or lignans. Coniferyl alcohol is an intermediate in the biosynthesis of eugenol, stilbenoids, and coumarin. Outside of the human body, coniferyl alcohol has been detected, but not quantified in, several different foods, such as common sages, chestnuts, cereals and cereal products, gingers, and cashew nuts. This could make coniferyl alcohol a potential biomarker for the consumption of these foods. Gum benzoin contains a significant amount of coniferyl alcohol and its esters. Coniferyl alcohol is an organic compound. This colourless crystalline solid is a phytochemical, one of the monolignols. It is synthesized via the phenylpropanoid biochemical pathway. Coniferol is a phenylpropanoid that is one of the main monolignols, produced by the reduction of the carboxy functional group in cinnamic acid and the addition of a hydroxy and a methoxy substituent to the aromatic ring. It has a role as a monolignol, a mouse metabolite, a pheromone, an animal metabolite, a plant metabolite and a volatile oil component. It is a phenylpropanoid and a member of guaiacols. It is functionally related to an (E)-cinnamyl alcohol. Coniferyl alcohol is a natural product found in Asparagus cochinchinensis, Xanthium spinosum, and other organisms with data available. See also: Polignate Sodium (monomer of); Ammonium lignosulfonate (monomer of); Calcium lignosulfonate (50000 MW) (monomer of) ... View More ... Coniferyl alcohol is an intermediate in biosynthesis of eugenol and of stilbene and coumarin. Gum benzoin contains significant amount of coniferyl alcohol and its esters.; Coniferyl alcohol is an organic compound. This colourless crystalline solid is a phytochemical, one of the monolignols. It is synthetized via the phenylpropanoid biochemical pathway. When copolymerized with related aromatic compounds, coniferyl alcohol forms lignin or lignans. [HMDB]. Coniferyl alcohol is found in many foods, some of which are canada blueberry, eggplant, winged bean, and flaxseed. A phenylpropanoid that is one of the main monolignols, produced by the reduction of the carboxy functional group in cinnamic acid and the addition of a hydroxy and a methoxy substituent to the aromatic ring. Coniferyl alcohol is an intermediate in biosynthesis of eugenol and of stilbenoids and coumarin[1]. Coniferyl alcohol specifically inhibits fungal growth[1]. Coniferyl alcohol is an intermediate in biosynthesis of eugenol and of stilbenoids and coumarin[1]. Coniferyl alcohol specifically inhibits fungal growth[1].
Protionamide
J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis > J04AD - Thiocarbamide derivatives D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent
Propylparaben
Propyl-4-hydroxybenzoate appears as colorless crystals or white powder or chunky white solid. Melting point 95-98 °C. Odorless or faint aromatic odor. Low toxicity, Tasteless (numbs the tongue). pH: 6.5-7.0 (slightly acidic) in solution. Propylparaben is the benzoate ester that is the propyl ester of 4-hydroxybenzoic acid. Preservative typically found in many water-based cosmetics, such as creams, lotions, shampoos and bath products. Also used as a food additive. It has a role as an antifungal agent and an antimicrobial agent. It is a benzoate ester, a member of phenols and a paraben. It is functionally related to a propan-1-ol and a 4-hydroxybenzoic acid. Propylparaben is used in allergenic testing. Propylparaben is a Standardized Chemical Allergen. The physiologic effect of propylparaben is by means of Increased Histamine Release, and Cell-mediated Immunity. Propylparaben is a natural product found in Microtropis fokienensis, Soymida febrifuga, and other organisms with data available. Propylparaben is an antimicrobial agent, preservative, flavouring agent. Propylparaben belongs to the family of Hydroxybenzoic Acid Derivatives. These are compounds containing an hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxylic acid. Propylparaben, also known as propyl chemosept or propyl parasept, belongs to the class of organic compounds known as p-hydroxybenzoic acid alkyl esters. These are aromatic compounds containing a benzoic acid, which is esterified with an alkyl group and para-substituted with a hydroxyl group. Propylparaben is a sweet, burnt, and hawthorn tasting compound. Propylparaben is a potentially toxic compound. Propylparaben is an antimicrobial agent, preservative, flavouring agent. D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens Antimicrobial agent, preservative, flavouring agent Propylparaben (Propyl parahydroxybenzoate) is an antimicrobial preservative which can be produced naturally by plants and bacteria. Propylparaben is prevalently used in cosmetics, pharmaceuticals, and foods. Propylparaben disrupts antral follicle growth and steroidogenic function by altering the cell-cycle, apoptosis, and steroidogenesis pathways. Propylparaben also decreases sperm number and motile activity in rats[1][2][3]. Propylparaben (Propyl parahydroxybenzoate) is an antimicrobial preservative which can be produced naturally by plants and bacteria. Propylparaben is prevalently used in cosmetics, pharmaceuticals, and foods. Propylparaben disrupts antral follicle growth and steroidogenic function by altering the cell-cycle, apoptosis, and steroidogenesis pathways. Propylparaben also decreases sperm number and motile activity in rats[1][2][3].
2,6-Dimethoxy-4-vinylphenol
4-Vinylsyringol is a phenolic compound with potential antioxidant activity, which can be isolated from rapeseed oil[1].
4-Methoxybenzyl acetate
4-Methoxybenzyl acetate is found in fruits. 4-Methoxybenzyl acetate is found in fruits, Bourbon vanilla and Tahiti vanilla. 4-Methoxybenzyl acetate is used in flavour industry. Found in fruits, Bourbon vanilla and Tahiti vanilla. It is used in flavour industry.
3-(3-Hydroxyphenyl)-2-methylpropionic acid
3-(3-Hydroxyphenyl)-2-methylpropionic acid is a metabolite of carbidopa. Carbidopa (Lodosyn) is a drug given to people with Parkinsons disease in order to inhibit peripheral metabolism of levodopa. This property is significant in that it allows a greater proportion of peripheral levodopa to cross the blood brain barrier for central nervous system effect. (Wikipedia)
4-Hydroxy-2,6,6-trimethyl-3-oxo-1,4-cyclohexadiene-1-carboxaldehyde
4-Hydroxy-2,6,6-trimethyl-3-oxo-1,4-cyclohexadiene-1-carboxaldehyde is found in herbs and spices. 4-Hydroxy-2,6,6-trimethyl-3-oxo-1,4-cyclohexadiene-1-carboxaldehyde is a constituent of saffron, Crocus sativus. Constituent of saffron, Crocus sativus. 4-Hydroxy-2,6,6-trimethyl-3-oxo-1,4-cyclohexadiene-1-carboxaldehyde is found in herbs and spices.
3-Methoxybenzenepropanoic acid
3-Methoxybenzenepropanoic acid, also known as 3-(3-methoxyphenyl)propionate or 3-methoxydihydrocinnamate, belongs to the class of organic compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid. 3-Methoxybenzenepropanoic acid is a naturally occurring human metabolite, It is an organic acid and excreted in human urine (PMID: 8087979) [HMDB] 3-(3-Methoxyphenyl)propionic acid is an organic acid, naturally occurring human metabolite and excreted in human urine.
4-Ethoxy-3-methoxybenzaldehyde
4-Ethoxy-3-methoxybenzaldehyde is isolated from storax. 4-Ethoxy-3-methoxybenzaldehyde is a flavouring. 4-Ethoxy-3-methoxybenzaldehyde is a stabilise
2-Phenyl-1,3-dioxolane-4-methanol
Benzaldehyde glyceryl acetal comprising this compound and/or 5-Hydroxy-2-phenyl-1,3-dioxane
1-(2,4-Dihydroxyphenyl)-1-butanone
1-(2,4-Dihydroxyphenyl)-1-butanone is a preservative for foo
Benzaldehyde glyceryl acetal
*Benzaldehyde glyceryl acetal*, comprising this compound and/or 2-Phenyl-1,3-dioxolane-4-methanol
Propyl 2-furanacrylate
Propyl 2-furanacrylate is a flavouring ingredient. Flavouring ingredient
10-hydroxy-(2E,8E)-decadien-4-ynoic Acid
10-hydroxy-(2E,8E)-decadien-4-ynoic Acid is considered to be practically insoluble (in water) and acidic. 10-hydroxy-(2E,8E)-decadien-4-ynoic Acid is a fatty acid lipid molecule
Protionamide
J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis > J04AD - Thiocarbamide derivatives D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent
1-(3,4-Dimethoxyphenyl)ethanone
1-(3,4-dimethoxyphenyl)ethanone, also known as 3,4-dimethoxyacetophenone, is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 1-(3,4-dimethoxyphenyl)ethanone is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). 1-(3,4-dimethoxyphenyl)ethanone is a sweet, floral, and woody tasting compound found in oat and tea, which makes 1-(3,4-dimethoxyphenyl)ethanone a potential biomarker for the consumption of these food products.
Propiovanillone
Propiovanillone is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. Propiovanillone is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Propiovanillone can be found in sunflower, which makes propiovanillone a potential biomarker for the consumption of this food product.
trans-[6]-Shogaol
Trans-[6]-shogaol is a member of the class of compounds known as phenylacetaldehydes. Phenylacetaldehydes are compounds containing a phenylacetaldehyde moiety, which consists of a phenyl group substituted at the second position by an acetalydehyde. Trans-[6]-shogaol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Trans-[6]-shogaol can be found in ginger, which makes trans-[6]-shogaol a potential biomarker for the consumption of this food product.
2,7-Dihydroxy-3-isopropyl-2,4,6-cycloheptatrienone
Ethyl 2-methoxybenzoate
CONFIDENCE standard compound; INTERNAL_ID 949; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4348; ORIGINAL_PRECURSOR_SCAN_NO 4343 CONFIDENCE standard compound; INTERNAL_ID 949; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4380; ORIGINAL_PRECURSOR_SCAN_NO 4378 CONFIDENCE standard compound; INTERNAL_ID 949; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4326; ORIGINAL_PRECURSOR_SCAN_NO 4325 CONFIDENCE standard compound; INTERNAL_ID 949; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4351; ORIGINAL_PRECURSOR_SCAN_NO 4347 CONFIDENCE standard compound; INTERNAL_ID 949; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4397; ORIGINAL_PRECURSOR_SCAN_NO 4392 CONFIDENCE standard compound; INTERNAL_ID 949; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4371; ORIGINAL_PRECURSOR_SCAN_NO 4370
(+)-desacetylcalaminthone|3,8-dihydroxy-6-methoxy-1-methylanthraquinone-2-carboxylic acid
1,3-dihydroxydeca-4,6-diyn-8-one|8,10-Dihydroxy-4,6-decadiyn-3-one
1-Hydroxy-1-(2-hydroxy-4-methylphenyl)-2-propanone
ETHYL MANDELATE
D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids
(R, E)-6-(4-oxopent-2-enyl)-5,6-dihydro-pyran-2-one|(R,E)-6-(4-oxopent-2-enyl)-5,6-dihydro-2H-pyran-2-one|6(R)-(4-oxopent-2-enyl)-5,6-dihydro-2H-pyran-2-one
2-Cyclopentene-1-acetaldehyde, 2-formyl-4-hydroxy-3-methyl-alpha-methylene-, (1R-trans)-
(E)-Dihydro-5-(5-hydroxy-3-hexen-1-ynyl)-2(5H)-furanone|9-hydroxydec-7E-en-5-yn-4-olide
5-hydroxy-3S-hydroxymethyl-6-methyl-2,3-dihydrobenzofuran
5,6-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
2,5-Cyclohexadiene-1,4-dione, 3-hydroxy-5-methyl-2-(1-methylethyl)-
1-[4-hydroxy-3-(2-hydroxyethyl)phenyl]ethanone
6-ethyl-2,4-dihydroxy-3-methylbenzaldehyde
Propylparaben
CONFIDENCE standard compound; INTERNAL_ID 989; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4056; ORIGINAL_PRECURSOR_SCAN_NO 4053 D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens CONFIDENCE standard compound; INTERNAL_ID 989; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4153; ORIGINAL_PRECURSOR_SCAN_NO 4151 CONFIDENCE standard compound; INTERNAL_ID 989; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4142; ORIGINAL_PRECURSOR_SCAN_NO 4139 CONFIDENCE standard compound; INTERNAL_ID 989; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3966; ORIGINAL_PRECURSOR_SCAN_NO 3964 CONFIDENCE standard compound; INTERNAL_ID 989; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3985; ORIGINAL_PRECURSOR_SCAN_NO 3983 CONFIDENCE standard compound; INTERNAL_ID 989; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4151; ORIGINAL_PRECURSOR_SCAN_NO 4148 CONFIDENCE standard compound; INTERNAL_ID 2372 CONFIDENCE standard compound; INTERNAL_ID 8646 Propylparaben (Propyl parahydroxybenzoate) is an antimicrobial preservative which can be produced naturally by plants and bacteria. Propylparaben is prevalently used in cosmetics, pharmaceuticals, and foods. Propylparaben disrupts antral follicle growth and steroidogenic function by altering the cell-cycle, apoptosis, and steroidogenesis pathways. Propylparaben also decreases sperm number and motile activity in rats[1][2][3]. Propylparaben (Propyl parahydroxybenzoate) is an antimicrobial preservative which can be produced naturally by plants and bacteria. Propylparaben is prevalently used in cosmetics, pharmaceuticals, and foods. Propylparaben disrupts antral follicle growth and steroidogenic function by altering the cell-cycle, apoptosis, and steroidogenesis pathways. Propylparaben also decreases sperm number and motile activity in rats[1][2][3].
3-Methoxybenzenepropanoic acid
3-(3-Methoxyphenyl)propionic acid is an organic acid, naturally occurring human metabolite and excreted in human urine.
m-Methoxyhydrocinnamate
3-(3-Methoxyphenyl)propionic acid is an organic acid, naturally occurring human metabolite and excreted in human urine.
Isopropylparaben
Isopropylparaben is a 4-hydroxybenzoate ester.
Nipasol
D010592 - Pharmaceutic Aids > D011310 - Preservatives, Pharmaceutical > D010226 - Parabens Propylparaben (Propyl parahydroxybenzoate) is an antimicrobial preservative which can be produced naturally by plants and bacteria. Propylparaben is prevalently used in cosmetics, pharmaceuticals, and foods. Propylparaben disrupts antral follicle growth and steroidogenic function by altering the cell-cycle, apoptosis, and steroidogenesis pathways. Propylparaben also decreases sperm number and motile activity in rats[1][2][3]. Propylparaben (Propyl parahydroxybenzoate) is an antimicrobial preservative which can be produced naturally by plants and bacteria. Propylparaben is prevalently used in cosmetics, pharmaceuticals, and foods. Propylparaben disrupts antral follicle growth and steroidogenic function by altering the cell-cycle, apoptosis, and steroidogenesis pathways. Propylparaben also decreases sperm number and motile activity in rats[1][2][3].
4-hydroxy-2,6,6-trimethyl-3-oxocyclohexa-1,4-diene-1-carbaldehyde
(2S)-2-[(3,4,5-TRIMETHOXYBENZOYL)AMINO]PROPANOICACID
(2S)-1-[(2S)-2-[[(1S)-1-CARBOXY-3-PHENYL-PROPYL]AMINO]PROPANOYL]PYRROLIDINE-2-CARBOXYLICACID
(S)-2-ETHOXY-3-(4-HYDROXY-PHENYL)-PROPIONICACIDETHYLESTER
N-(Phenylmethyl)carbamimidothioic acid methyl ester
(2,4-DIOXO-3,4-DIHYDROQUINAZOLIN-1(2H)-YL)ACETICACID
Benzeneacetic acid, a-(hydroxymethyl)-, methyl ester
3-CHLOROISOBUTYLDIMETHYLMETHOXYSILANE
C7H17ClOSi (180.07371419999998)
3-chloropropyl-ethoxy-dimethylsilane
C7H17ClOSi (180.07371419999998)
N-[amino(hydrazinyl)methylidene]pyrazine-2-carboxamide
Quinoxaline, 1,2,3,4-tetrahydro-6-(methylthio)- (7CI)
1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5,6-dimethyl-
Coniferol
Coniferyl alcohol is an intermediate in biosynthesis of eugenol and of stilbenoids and coumarin[1]. Coniferyl alcohol specifically inhibits fungal growth[1]. Coniferyl alcohol is an intermediate in biosynthesis of eugenol and of stilbenoids and coumarin[1]. Coniferyl alcohol specifically inhibits fungal growth[1].
2-ammonio-2-deoxy-D-glucopyranose
An ammonium ion that is the conjugate acid of 2-amino-2-deoxy-D-glucopyranose. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(2R,3R,4S,5S)1,3,4,5-tetrahydroxy-6-oxohexan-2-aminium
3-(3-Methoxyphenyl)propionic acid
3-(3-Methoxyphenyl)propionic acid is an organic acid, naturally occurring human metabolite and excreted in human urine.
4-Hydroxy-2,6,6-trimethyl-3-oxo-1,4-cyclohexadiene-1-carboxaldehyde
10-hydroxy-(2E,8E)-decadien-4-ynoic Acid
A polyunsaturated fatty acid that is deca-2,8-dien-4-ynoic acid substituted at position 10 by a hydroxy group (the 2E,8E-geoisomer)
2,6-Dimethoxy-4-vinylphenol
4-Vinylsyringol is a phenolic compound with potential antioxidant activity, which can be isolated from rapeseed oil[1].
(5s)-5-[(1e,3e)-5-oxohexa-1,3-dien-1-yl]oxolan-2-one
(6r)-6-[(2e)-4-oxopent-2-en-1-yl]-5,6-dihydropyran-2-one
6-[(2z)-but-2-en-2-yl]-3-(hydroxymethyl)pyran-2-one
3-(hydroxymethyl)-6-methyl-2,3-dihydro-1-benzofuran-5-ol
1,3r,8r-trihydroxydec-9-en-4,6-yne
{"Ingredient_id": "HBIN001294","Ingredient_name": "1,3r,8r-trihydroxydec-9-en-4,6-yne","Alias": "1,3r,8r-trihydroxydec-9-en-4,6-yne","Ingredient_formula": "C10H12O3","Ingredient_Smile": "C=CC(C#CC#CC(CCO)O)O","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21687","TCMSP_id": "NA","TCM_ID_id": "9954;9955;16237;16238","PubChem_id": "NA","DrugBank_id": "NA"}
2-(1'-hydroxy-2'-oxopropyl)-5-methylphenol
{"Ingredient_id": "HBIN003573","Ingredient_name": "2-(1'-hydroxy-2'-oxopropyl)-5-methylphenol","Alias": "NA","Ingredient_formula": "C10H12O3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15896","TCMID_id": "10580","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-[4-(methoxymethyl)phenyl]acetic acid
{"Ingredient_id": "HBIN004430","Ingredient_name": "2-[4-(methoxymethyl)phenyl]acetic acid","Alias": "ST5407727; 2-[4-(methoxymethyl)phenyl]ethanoic acid","Ingredient_formula": "C10H12O3","Ingredient_Smile": "COCC1=CC=C(C=C1)CC(=O)O","Ingredient_weight": "180.2 g/mol","OB_score": "82.65706876","CAS_id": "NA","SymMap_id": "SMIT12031","TCMID_id": "NA","TCMSP_id": "MOL011079","TCM_ID_id": "NA","PubChem_id": "22988428","DrugBank_id": "NA"}
4-methyl-2,5-dimethoxybenzaldehyde
{"Ingredient_id": "HBIN010663","Ingredient_name": "4-methyl-2,5-dimethoxybenzaldehyde","Alias": "NA","Ingredient_formula": "C10H12O3","Ingredient_Smile": "CC1=CC(=C(C=C1OC)C=O)OC","Ingredient_weight": "180.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40856","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "602019","DrugBank_id": "NA"}
5,6-dimethyl-3a,4,7,7a-tetrahydro-1,3-lsoben-zofurandione
{"Ingredient_id": "HBIN011147","Ingredient_name": "5,6-dimethyl-3a,4,7,7a-tetrahydro-1,3-lsoben-zofurandione","Alias": "NA","Ingredient_formula": "C10H12O3","Ingredient_Smile": "CC1=C(CC2C(C1)C(=O)OC2=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15179","TCMID_id": "6411","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}