Exact Mass: 180.0872
Exact Mass Matches: 180.0872
Found 500 metabolites which its exact mass value is equals to given mass value 180.0872,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
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
(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)
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.
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.
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
(6-Amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol
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
4-(1-Methyl-5-imidazolylmethyl)tetrahydrofuran-2-one
5-(1-Aminoethyl)3-pyridinecarboxylic acid methyl ester
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
5-propyl-pyrimidine-2-carboxylic acid methyl ester
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
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)-
(2S)-2-[(3,4,5-TRIMETHOXYBENZOYL)AMINO]PROPANOICACID
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)
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
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.
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"}
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"}
