Exact Mass: 180.0958
Exact Mass Matches: 180.0958
Found 500 metabolites which its exact mass value is equals to given mass value 180.0958,
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].
3-Hydroxykynurenamine
This compound belongs to the family of Phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
5-Hydroxykynurenamine
5-Hydroxykynurenamine is an intermediate in the tryptophan metabolic pathway [Kegg: C05638]. It is generated from 5-hydroxykynurenine via the enzyme DOPA decarboxylase. [HMDB] 5-Hydroxykynurenamine is an intermediate in the tryptophan metabolic pathway [Kegg: C05638]. It is generated from 5-hydroxykynurenine via the enzyme DOPA decarboxylase.
L-2-Amino-3-(4-aminophenyl)propanoic acid
L-2-Amino-3-(4-aminophenyl)propanoic acid is found in pulses. L-2-Amino-3-(4-aminophenyl)propanoic acid is a constituent of the famine food Vigna vexillata
(4-Ethoxyphenyl)urea
CONFIDENCE standard compound; INTERNAL_ID 1380; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6926; ORIGINAL_PRECURSOR_SCAN_NO 6925 CONFIDENCE standard compound; INTERNAL_ID 1380; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6898; ORIGINAL_PRECURSOR_SCAN_NO 6895 CONFIDENCE standard compound; INTERNAL_ID 1380; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6868; ORIGINAL_PRECURSOR_SCAN_NO 6863 CONFIDENCE standard compound; INTERNAL_ID 1380; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6901; ORIGINAL_PRECURSOR_SCAN_NO 6899 CONFIDENCE standard compound; INTERNAL_ID 1380; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6900; ORIGINAL_PRECURSOR_SCAN_NO 6896 CONFIDENCE standard compound; INTERNAL_ID 1380; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6903; ORIGINAL_PRECURSOR_SCAN_NO 6900 (4-Ethoxyphenyl)urea is a sweetening agent about 250 times sweeter than sucrose. It is prohibited from human food use in U.S.A. and other countries
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].
(S)-3-Ethylidenehexahydropyrrolo[1,2-a]pyrazine-1,4-dione
(S)-3-Ethylidenehexahydropyrrolo[1,2-a]pyrazine-1,4-dione is isolated from cultured cells of Aspidosperma quebracho-blanco (quebracho). Isolated from cultured cells of Aspidosperma quebracho-blanco (quebracho)
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.
Tyrosinamide
Tyrosinamide is a simple mimic of Tyrosine, an amino acid essential to the catalytic activity of several enzymes of pharmaceutical interest, such as in the polypeptide chain of topoisomerases and other tyrosine dependent enzymes. [HMDB] Tyrosinamide is a simple mimic of Tyrosine, an amino acid essential to the catalytic activity of several enzymes of pharmaceutical interest, such as in the polypeptide chain of topoisomerases and other tyrosine dependent enzymes.
(6-Amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol
4-(1-Methyl-5-imidazolylmethyl)tetrahydrofuran-2-one
5-(1-Aminoethyl)3-pyridinecarboxylic acid methyl ester
1,4,4-Trimethyl-4,5,6,7-tetrahydro-benzo[c]thiophen|1,4,4-trimethyl-4,5,6,7-tetrahydro-benzo[c]thiophene
5-propyl-pyrimidine-2-carboxylic acid methyl ester
3-Amino-4-methoxyacetaniline
CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3864; ORIGINAL_PRECURSOR_SCAN_NO 3861 CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3878; ORIGINAL_PRECURSOR_SCAN_NO 3875 CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3845; ORIGINAL_PRECURSOR_SCAN_NO 3844 CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3869; ORIGINAL_PRECURSOR_SCAN_NO 3866 CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3860; ORIGINAL_PRECURSOR_SCAN_NO 3857 CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3861; ORIGINAL_PRECURSOR_SCAN_NO 3859 CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2278; ORIGINAL_PRECURSOR_SCAN_NO 2276 CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2286; ORIGINAL_PRECURSOR_SCAN_NO 2285 CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6898; ORIGINAL_PRECURSOR_SCAN_NO 6895 CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2289; ORIGINAL_PRECURSOR_SCAN_NO 2288 CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6897; ORIGINAL_PRECURSOR_SCAN_NO 6893 CONFIDENCE standard compound; INTERNAL_ID 750; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6903; ORIGINAL_PRECURSOR_SCAN_NO 6900
(S)-3-Ethylidenehexahydropyrrolo[1,2-a]pyrazine-1,4-dione
1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxylic acid
5-AMINO-6-METHYL-3-PYRIDINECARBOXYLIC ACID ETHYL ESTER
Methyl 4,5,6,7-tetrahydro-1H-benzo[d]imidazole-6-carboxylate
1-(2-Tetrahydropyranyl)-1H-pyrazole-5-carboxaldehyde
(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methanol
Methyl 4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
5-Pyrimidinecarboxylicacid, 2,4-dimethyl-, ethyl ester
Pyrrolo[1,2-a]pyrazine-1,4-dione, 3-ethylidenehexahydro-, (3Z,8aS)- (9CI)
Pyrrolo[1,2-a]pyrazine-1,4-dione, 3-ethylidenehexahydro-, [S-(E)]- (9CI)
1H-Imidazole-5-carboxylic acid,4-(1,1-dimethyl-2-propen-1-yl)-
3-cyclopropyl-1-ethyl-1H-pyrazole-5-carboxylic acid(SALTDATA: FREE)
N-[(1-ETHYL-3,5-DIMETHYL-1H-PYRAZOL-4-YL)METHYL]-ETHANAMINE
(2S)-1-[(2S)-2-[[(1S)-1-CARBOXY-3-PHENYL-PROPYL]AMINO]PROPANOYL]PYRROLIDINE-2-CARBOXYLICACID
Pyrrolo[1,2-a]pyrazine-1,4-dione,hexahydro-2-methyl-3-methylene-
Benzoic acid, 3-methoxy-2-methyl-, hydrazide (9CI)
(S)-2-ETHOXY-3-(4-HYDROXY-PHENYL)-PROPIONICACIDETHYLESTER
Ethyl 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxylate
Ethyl 1,4,5,6-Tetrahydrocyclopenta[c]Pyrazole-3-Carboxylate
5-METHYL-4,5,6,7-TETRAHYDRO-2H-INDAZOLE-3-CARBOXYLIC ACID
1-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid(SALTDATA: FREE)
Pyrrolo[1,2-a]pyrazin-4(6H)-one, 7,8-dihydro-1-methoxy-3-methyl- (9CI)
Benzeneacetic acid, a-(hydroxymethyl)-, methyl ester
2-(Dimethylamino)-6-methyl-4-pyridinecarboxylicacid
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-6-methyl-3-methylene- (9CI)
Pyrrolo[1,2-a]pyrazin-1(2H)-one, 3,4-dihydro-3-hydroxy-2,3-dimethyl- (9CI)
1H-Benzimidazole-5-carboxylic acid,4,5,6,7-tetrahydro-2-methyl- (9CI)
(4E)-4-[amino(nitroso)methylidene]-N,N-dimethyl-1H-pyridin-2-amine
2-methyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxylic acid(SALTDATA: FREE)
1H-Imidazole-4-carboxylic acid,2-cyclopentyl- (9CI)
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
[(1R,3S,4R,6S)-3-azaniumyl-2,4,5,6-tetrahydroxycyclohexyl]azanium
6-Hydroxy-pseudooxy-nornicotine
A hydroxypyridine that is pyridine substituted by 4-aminobutanoyl and hydroxy groups at positions 3 and 6, respectively. It is a metabolite of nornicotine produced by Shinella sp. strain HZN7.
(R)-salsolinol(1+)
A secondary ammonium ion that is the conjugate acid of (R)-salsolinol obtained by protonation of the amino group; major species at pH 7.3.
1,3,7-Trimethyl-1,2,3,7-tetrahydro-6H-purine-6-one
5-Hydroxykynurenamine
A hydroxykynurenamine where the hydroxy group is located at the 5-position.
3-Hydroxykynurenamine
A hydroxykynurenamine that is kynurenamine carrying a hydroxy group at position 3. It is a metabolite of tryptophan that exhibits antiinflammatory and immunomodulatory properties. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
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].
beta-D-glucosamine(1+)
A 2-ammonio-2-deoxy-D-glucopyranose that has beta- configuration at the anomeric carbon.
2-ammonio-2-deoxy-D-galactopyranose
A primary ammonium ion resulting from the protonation of the amino group of 2-amino-2-deoxy-D-galactopyranose. Major species at pH 7.3.
(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"}
4-tert-Butyl-O-thiocresol
{"Ingredient_id": "HBIN010924","Ingredient_name": "4-tert-Butyl-O-thiocresol","Alias": "NA","Ingredient_formula": "C11H16S","Ingredient_Smile": "CC1=C(C=CC(=C1)C(C)(C)C)S","Ingredient_weight": "180.31 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39191","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "84988","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"}
Acetone (4-hydroxy-6-methyl-2-pyrimidinyl)hydrazone
{"Ingredient_id": "HBIN014421","Ingredient_name": "Acetone (4-hydroxy-6-methyl-2-pyrimidinyl)hydrazone","Alias": "2-(N'-isopropylidenehydrazino)-6-methyl-1H-pyrimidin-4-one; NSC75853; 6-methyl-2-(2-propan-2-ylidenehydrazinyl)-1H-pyrimidin-4-one; 66680-04-4; Acetone, N2-(4-hydroxy-6-methylpyrimidin-2-yl)hydrazone; ZINC04354698","Ingredient_formula": "C8H12N4O","Ingredient_Smile": "CC1=CC(=O)NC(=N1)NN=C(C)C","Ingredient_weight": "180.21","OB_score": "59.7049034","CAS_id": "66680-04-4","SymMap_id": "SMIT12537","TCMID_id": "NA","TCMSP_id": "MOL011666","TCM_ID_id": "NA","PubChem_id": "135460313","DrugBank_id": "NA"}
