Exact Mass: 166.0759
Exact Mass Matches: 166.0759
Found 500 metabolites which its exact mass value is equals to given mass value 166.0759,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Fucitol
L-fucitol is the L-enantiomer of fucitol. It is found in nutmeg. It has a role as a plant metabolite and an antibacterial agent. It is an enantiomer of a D-fucitol. L-Fucitol is a natural product found in Carum carvi with data available. The L-enantiomer of fucitol. It is found in nutmeg. L-Fucitol (1-Deoxy-D-galactitol) is a sugar alcohol isolated from Nutmeg[1]. L-Fucitol (1-Deoxy-D-galactitol) is a sugar alcohol isolated from Nutmeg[1].
Fluorene
Fluorene, also known as diphenylenemethane or 9h-fluorene, is a member of the class of compounds known as fluorenes. Fluorenes are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene. Fluorene is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Fluorene can be found in corn, which makes fluorene a potential biomarker for the consumption of this food product. Fluorene is formally rated as an unfounded non-carcinogenic (IARC 3) potentially toxic compound. Fluorene , or 9H-fluorene, is a polycyclic aromatic hydrocarbon. It forms white crystals that exhibit a characteristic, aromatic odor similar to that of naphthalene. It is combustible. It has a violet fluorescence, hence its name. For commercial purposes it is obtained from coal tar. It is insoluble in water and soluble in many organic solvents . PAHs are carcinogens and have been associated with the increased risk of skin, respiratory tract, bladder, stomach, and kidney cancers. They may also cause reproductive effects and depress the immune system (L10) (T3DB). D009676 - Noxae > D002273 - Carcinogens
3-Hydroxy-1-(4-hydroxyphenyl)-1-propanone
3-Hydroxy-1-(4-hydroxyphenyl)-1-propanone is found in fruits. 3-Hydroxy-1-(4-hydroxyphenyl)-1-propanone is a constituent of Carissa edulis (agam). Constituent of Carissa edulis (agam). 3-Hydroxy-1-(4-hydroxyphenyl)-1-propanone is found in fruits.
(3E,5Z)-1,3,5-Tridecatriene-7,9,11-triyne
(3e,5z)-1,3,5-tridecatriene-7,9,11-triyne is a member of the class of compounds known as enynes. Enynes are hydrocarbons containing an alkene and an alkyne group. Within the cell, (3e,5z)-1,3,5-tridecatriene-7,9,11-triyne is primarily located in the membrane (predicted from logP). (3E,5Z)-1,3,5-Tridecatriene-7,9,11-triyne is isolated from Artemisia vulgaris (mugwort).
Ethyl salicylate
Ethyl salicylate, also known as fema 2458 or mesotol, belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy group. Ethyl salicylate is a sweet, balsam, and floral tasting compound. Ethyl salicylate has been detected, but not quantified, in several different foods, such as evergreen blackberries, alcoholic beverages, black elderberries, garden tomato, and fruits. Ethyl salicylate is the ester formed by the condensation of salicylic acid and ethanol. It is a clear liquid that is sparingly soluble in water, but soluble in alcohol and ether. It has a pleasant odor resembling wintergreen and is used in perfumery and artificial flavors. Present in feijoa fruit, raspberry, tomato, various spirits, red wine, mountain papaya and cape gooseberry. Flavouring agent. Ethyl salicylate is found in many foods, some of which are black elderberry, garden tomato, fruits, and alcoholic beverages. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
1,3,11-Tridecatriene-5,7,9-triyne
1,3,11-Tridecatriene-5,7,9-triyne is found in burdock. 1,3,11-Tridecatriene-5,7,9-triyne is a constituent of Carthamus tinctorius (safflower) Constituent of Carthamus tinctorius (safflower). 1,3,11-Tridecatriene-5,7,9-triyne is found in burdock, fats and oils, and herbs and spices.
1-Deoxy-D-glucitol
1-Deoxy-D-glucitol is found in herbs and spices. 1-Deoxy-D-glucitol is a constituent of the fruit of Foeniculum vulgare (fennel). Constituent of the fruit of Foeniculum vulgare (fennel). 1-Deoxy-D-glucitol is found in herbs and spices.
Guaicyl acetate
Guaicyl acetate is a flavouring ingredien Flavouring ingredient
Ethyl vanillin
Ethyl vanillin is a flavouring agent with flavouring power 2-4 times greater than vanillin. Ethyl vanillin is used especially in cocoa product Flavouring agent with flavouring power 2-4 times greater than vanillin. It is used especies in cocoa products.
3-(4-Methyl-3-pentenyl)thiophene
3-(4-Methyl-3-pentenyl)thiophene is found in alcoholic beverages. 3-(4-Methyl-3-pentenyl)thiophene is a constituent of hops. Constituent of hops. 3-(4-Methyl-3-pentenyl)thiophene is found in alcoholic beverages.
3-Hydroxy-3-phenylpropanoic acid
3-Hydroxy-3-phenylpropanoic acid (CAS: 3480-87-3) 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-Hydroxy-3-phenylpropanoic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). BioTransformer predicts that 3-hydroxy-3-phenylpropanoic acid is a product of 3-hydroxy-3-(4-hydroxyphenyl)propanoic acid metabolism via a -4p-dehydroxylation-of-substituted-benzene reaction occurring in human gut microbiota and catalyzed by a dehydroxylase enzyme (PMID: 30612223).
3,5-Dimethoxybenzaldehyde
3,5-Dimethoxybenzaldehyde is classified as a member of the dimethoxybenzenes. Dimethoxybenzenes are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups. 3,5-Dimethoxybenzaldehyde is considered to be slightly soluble (in water) and basic
Methyl 4-methoxybenzoate
Methyl 4-methoxybenzoate is found in star anise. Methyl 4-methoxybenzoate is a flavouring ingredien Flavouring ingredient. Methyl 4-methoxybenzoate is found in star anise. Methyl anisate is an endogenous metabolite.
Methyl 2-methoxybenzoate
Methyl 2-methoxybenzoate is found in mushrooms. Methyl 2-methoxybenzoate is present in the mushroom Tramates graveolens. Methyl 2-methoxybenzoate is a flavouring ingredien Present in the mushroom Tramates graveolens. Flavouring ingredient. Methyl 2-methoxybenzoate is found in mushrooms.
Ipomeanine
Ipomeanine is found in root vegetables. Ipomeanine is produced by Ceratostomella fimbriata; toxic substance in mouldy sweet potatoe Produced by Ceratostomella fimbriata; toxic substance in mouldy sweet potatoes. Ipomeanine is found in root vegetables.
Phenyllactic acid
Phenyllactic acid a product of phenylalanine catabolism, appearing prominently in the urine in individuals with phenylketonuria. Levels of several phenylalanine metabolites, including phenylacetate (PAA), phenyllactate (PLA), and phenylpyruvate (PPA)) are elevated in Phenylketonuria (PKU) (OMIM 261600). Phenyllactic acid is likely produced from phenylpyruvate via the action of lactate dehydrogenase. The D-form of this organic acid is typically derived from bacterial sources while the L-form is almost certainly endogenous. Levels of phenyllactate are normally very low in blood or urine. High levels of PLA in the urine or blood are often indicative of phenylketonuria (PKU) and hyperphenylalaninemia (HPA). PKU is due to lack of the enzyme phenylalanine hydroxylase (PAH), so that phenylalanine is converted not to tyrosine but to phenylpyruvic acid (a precursor of phenylactate). In particular, excessive phenylalanine is typically metabolized into phenylketones through, a transaminase pathway route involving glutamate. Metabolites of this transamination reaction include phenylacetate, phenylpyruvate and phenethylamine. In persons with PKU, dietary phenylalanine either accumulates in the body or some of it is converted to phenylpyruvic acid and then to phenyllactate through the action of lactate dehydrogenase. Individuals with PKU tend to excrete large quantities of phenylpyruvate, phenylacetate and phenyllactate, along with phenylalanine, in their urine. If untreated, mental retardation effects and microcephaly are evident by the first year along with other symptoms which include: unusual irritability, epileptic seizures and skin lesions. Hyperactivity, EEG abnormalities and seizures, and severe learning disabilities are major clinical problems later in life. A "musty or mousy" odor of skin, hair, sweat and urine (due to phenylacetate accumulation); and a tendency to hypopigmentation and eczema are also observed. The neural-development effects of PKU are primarily due to the disruption of neurotransmitter synthesis. In particular, phenylalanine is a large, neutral amino acid which moves across the blood-brain barrier (BBB) via the large neutral amino acid transporter (LNAAT). Excessive phenylalanine in the blood saturates the transporter. Thus, excessive levels of phenylalanine significantly decrease the levels of other LNAAs in the brain. But since these amino acids are required for protein and neurotransmitter synthesis, phenylalanine accumulation disrupts brain development, leading to mental retardation. (PMID: 10790306; OMIM: 261600). Phenyllactic acid can be found in Acinetobacter, Bacteroides, Bifidobacterium, Clostridium, Enterococcus, Escherichia, Eubacterium, Klebsiella, Lactobacillus, Pseudomonas and Staphylococcus (PMID: 19961416). Phenyllactic acid a product of phenylalanine catabolism, appearing prominently in the urine in individuals with phenylketonuria. Levels of several phenylalanine metabolites, including phenylacetate (PAA), phenyllactate (PLA), and phenylpyruvate (PPA)) are elevated in Phenylketonuria (PKU) (OMIM 261600). Phenyllactic acid is likely produced from phenylpyruvate via the action of lactate dehydrogenase. The D-form of this organic acid is typically derived from bacterial sources while the L-form is almost certainly endogenous. Levels of phenyllactate are normally very low in blood or urine. High levels of PLA in the urine or blood are often indicative of phenylketonuria (PKU) and hyperphenylalaninemia (HPA). PKU is due to lack of the enzyme phenylalanine hydroxylase (PAH), so that phenylalanine is converted not to tyrosine but to phenylpyruvic acid (a precursor of phenylactate). In particular, excessive phenylalanine is typically metabolized into phenylketones through, a transaminase pathway route involving glutamate. Metabolites of this transamination reaction include phenylacetate, phenylpyruvate and phenethylamine. In persons with PKU, dietary phenylalanine either accumulates in the body or some of it is converted to phenylpyruvic acid and then to phenyllactate through the action of lactate dehydrogenase. Individuals with PKU tend to excrete large quantities of phenylpyruvate, phenylacetate and phenyllactate, along with phenylalanine, in their urine. If untreated, mental retardation effects and microcephaly are evident by the first year along with other symptoms which include: unusual irritability, epileptic seizures and skin lesions. Hyperactivity, EEG abnormalities and seizures, and severe learning disabilities are major clinical problems later in life. A "musty or mousy" odor of skin, hair, sweat and urine (due to phenylacetate accumulation); and a tendency to hypopigmentation and eczema are also observed. The neural-development effects of PKU are primarily due to the disruption of neurotransmitter synthesis. In particular, phenylalanine is a large, neutral amino acid which moves across the blood-brain barrier (BBB) via the large neutral amino acid transporter (LNAAT). Excessive phenylalanine in the blood saturates the transporter. Thus, excessive levels of phenylalanine significantly decrease the levels of other LNAAs in the brain. But since these amino acids are required for protein and neurotransmitter synthesis, phenylalanine accumulation disrupts brain development, leading to mental retardation. PMID: 10790306; OMIM: 261600 [HMDB] DL-3-Phenyllactic acid is a broad-spectrum antimicrobial compound. DL-3-Phenyllactic acid is a broad-spectrum antimicrobial compound.
4-Methoxybenzyl formate
4-Methoxybenzyl formate is used extensively in food flavourin It is used extensively in food flavouring
Ethyl 2-furanacrylate
Ethyl 2-furanacrylate is a flavouring ingredient [CCD]. Flavouring ingredient [CCD]
1,2,3,6-Tetrahydromethylphthalic anhydride
Methoxyphenylacetic acid
Methoxyphenylacetic acid is a member of the class of compounds known as benzylethers. Benzylethers are aromatic ethers with the general formula ROCR (R = alkyl, aryl; R=benzene). Methoxyphenylacetic acid is soluble (in water) and a weakly acidic compound (based on its pKa). Methoxyphenylacetic acid can be found in olive, which makes methoxyphenylacetic acid a potential biomarker for the consumption of this food product. 2-(4-Methoxyphenyl)acetic acid is a plasma metabolite, with high sensitivity and specificity value as a biomarker for discriminating between NSCLC and healthy controls. 2-(4-Methoxyphenyl)acetic acid is a plasma metabolite, with high sensitivity and specificity value as a biomarker for discriminating between NSCLC and healthy controls.
(Z,Z)-1,3,11-Tridecatriene-5,7,9-triyne
(z,z)-1,3,11-tridecatriene-5,7,9-triyne is a member of the class of compounds known as enynes. Enynes are hydrocarbons containing an alkene and an alkyne group (z,z)-1,3,11-tridecatriene-5,7,9-triyne can be found in safflower, which makes (z,z)-1,3,11-tridecatriene-5,7,9-triyne a potential biomarker for the consumption of this food product.
3E,11E-Trideca-1,3,11-triene-5,7,9-triyne
3e,11e-trideca-1,3,11-triene-5,7,9-triyne is a member of the class of compounds known as enynes. Enynes are hydrocarbons containing an alkene and an alkyne group. 3e,11e-trideca-1,3,11-triene-5,7,9-triyne can be found in safflower, which makes 3e,11e-trideca-1,3,11-triene-5,7,9-triyne a potential biomarker for the consumption of this food product.
3Z,11E-Trideca-1,3,11-triene-5,7,9-triyne
3z,11e-trideca-1,3,11-triene-5,7,9-triyne is a member of the class of compounds known as enynes. Enynes are hydrocarbons containing an alkene and an alkyne group. 3z,11e-trideca-1,3,11-triene-5,7,9-triyne can be found in safflower, which makes 3z,11e-trideca-1,3,11-triene-5,7,9-triyne a potential biomarker for the consumption of this food product.
D-3-phenyllactic acid
D-?(+)?-?Phenyllactic acid is an anti-bacterial agent, excreted by Geotrichum candidum, inhibits a range of Gram-positive from humans and foodstuffs and Gram-negative bacteria found in humans[1]. DL-3-Phenyllactic acid is a broad-spectrum antimicrobial compound. DL-3-Phenyllactic acid is a broad-spectrum antimicrobial compound.
isoacetovanillone
Isoacetovanillone is a member of phenols and a member of methoxybenzenes. It has a role as a metabolite. 1-(3-Hydroxy-4-methoxyphenyl)ethanone is a natural product found in Lamprothamnus zanguebaricus, Saussurea superba, and Rhododendron ferrugineum with data available. A natural product found in Rhododendron ferrugineum. 3-Hydroxy-4-methoxyacetophenone(Acetoisovanillone; Isoacetovanillone) is an active compound isolated from P. spinosa. Isoacetovanillone possesses anti-inflammatory activity and prevented injuries due to administration of acetic acid in the colon[1]. 3-Hydroxy-4-methoxyacetophenone(Acetoisovanillone; Isoacetovanillone) is an active compound isolated from P. spinosa. Isoacetovanillone possesses anti-inflammatory activity and prevented injuries due to administration of acetic acid in the colon[1].
2,3-Dimethoxybenzaldehyde
2,3-Dimethoxybenzaldehyde (o-Veratraldehyde) is a benzaldehyde analog, with high antifungal activity (MIC=2.5 mM) 2,3-Dimethoxybenzaldehyde (o-Veratraldehyde) could be used for the synthesis of berberine[1].
Methyl 4-hydroxyphenylacetate
Methyl 4-hydroxyphenylacetate, a natural compound, is a methyl ester resulting from the formal condensation of the carboxy group of 4-Hydroxyphenylacetic acid with methanol[1]. Methyl 4-hydroxyphenylacetate, a natural compound, is a methyl ester resulting from the formal condensation of the carboxy group of 4-Hydroxyphenylacetic acid with methanol[1].
Phenyllactic acid
(S)-2-Hydroxy-3-phenylpropanoic acid is a product of phenylalanine catabolism. An elevated level of phenyllactic acid is found in body fluids of patients with or phenylketonuria. DL-3-Phenyllactic acid is a broad-spectrum antimicrobial compound. DL-3-Phenyllactic acid is a broad-spectrum antimicrobial compound.
Methyl mandelate
D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids
(S)-clavulazine|clavulazine|dihydropyrano[3,4-b]pyrazine
(2S,3S)-non-4t-ene-6,8-diyne-1,2,3-triol|2D,3L-trans-Non-4-en-6,8-diin-1,2,3-triol
3-hydroxy-4-methoxyacetophenone
3-Hydroxy-4-methoxyacetophenone(Acetoisovanillone; Isoacetovanillone) is an active compound isolated from P. spinosa. Isoacetovanillone possesses anti-inflammatory activity and prevented injuries due to administration of acetic acid in the colon[1]. 3-Hydroxy-4-methoxyacetophenone(Acetoisovanillone; Isoacetovanillone) is an active compound isolated from P. spinosa. Isoacetovanillone possesses anti-inflammatory activity and prevented injuries due to administration of acetic acid in the colon[1].
Chromen-2-on; Verbindung mit Hydro-o-cumarsaeure|chromen-2-one; compound with hydro-o-coumaric acid
3-Methoxy-2,5-dimethylcyclohexa-2,5-diene-1,4-dione
(E)-2-Butyliden-3-methylen-bernsteinsaeureanhydrid|waquafranone B
2,3-Dimethoxybenzaldehyde
2,3-Dimethoxybenzaldehyde (o-Veratraldehyde) is a benzaldehyde analog, with high antifungal activity (MIC=2.5 mM) 2,3-Dimethoxybenzaldehyde (o-Veratraldehyde) could be used for the synthesis of berberine[1].
5,6,7,8-Tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
4,5,6,7-Tetrahydro-2H-pyrrolo[3,4-c]pyridine-6-carboxylic acid
Phenyllactate
DL-3-Phenyllactic acid is a broad-spectrum antimicrobial compound. DL-3-Phenyllactic acid is a broad-spectrum antimicrobial compound.
o-Veratraldehyde
2,3-Dimethoxybenzaldehyde (o-Veratraldehyde) is a benzaldehyde analog, with high antifungal activity (MIC=2.5 mM) 2,3-Dimethoxybenzaldehyde (o-Veratraldehyde) could be used for the synthesis of berberine[1].
Homoanisate
2-(4-Methoxyphenyl)acetic acid is a plasma metabolite, with high sensitivity and specificity value as a biomarker for discriminating between NSCLC and healthy controls. 2-(4-Methoxyphenyl)acetic acid is a plasma metabolite, with high sensitivity and specificity value as a biomarker for discriminating between NSCLC and healthy controls.
1H-Imidazole-4-carboxylicacid,1-ethenyl-,ethylester(9CI)
2-Deoxy-2-fluoro-L-fucose
C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent C274 - Antineoplastic Agent
5,6,7,8-Tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid
1,2,4-Triazolo[4,3-a][1,3,5]triazine-3,5,7-triamine
1,4,5,6-Tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide
4,5,6,7-TETRAHYDRO-1H-BENZO[D]IMIDAZOLE-7-CARBOXYLIC ACID
4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
1-Methyl-1,4,5,6-tetrahydro-cyclopentapyrazole-3-carboxylic acid
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
4,5,6,7-Tetrahydro-1H-benzoimidazole-5-carboxylic acid
5-Cyclopropyl-1-methyl-1H-pyrazole-3-carboxylic acid
1-Ethyl-2-(trifluoromethyl)-4,5-dihydro-1H-imidazole
5-Cyclopropyl-2-methyl-2H-pyrazole-3-carboxylic acid
5-Pyrimidinecarboxylic acid, 2,4,6-trimethyl- (9CI)
1,4-DIMETHYL-1,2,3,4,5,6-HEXAHYDROCYCLOBUTA[B]PYRAZINE-5,6-DIONE
5-Pyrimidinecarboxylic acid, 4-ethyl-2-methyl- (9CI)
Phenyl Dimethyl Methoxysilane
D001697 - Biomedical and Dental Materials
Boronic acid, [5-(hydroxymethyl)-2-methylphenyl]- (9CI)
5,6,7,8-Tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
(+)-1,4-DI-O-TOSYL-2,3-O-ISOPROPYLIDENE-D-THREITOL
(2E)-3-(1-ethyl-1H-pyrazol-4-yl)acrylic acid(SALTDATA: FREE)
(2E)-3-(1,3-dimethyl-1H-pyrazol-4-yl)acrylic acid(SALTDATA: FREE)
1-Chloro-3-methoxy-2-(methoxymethyl)-2-methylpropane
L-phenylalaninium
An optically active form of phenylalaninium having L-configuration.
Phenylalaninium
An alpha-amino-acid cation that is the conjugate acid of phenylalanine, arising from protonation of the amino group.
D-phenylalaninium
An optically active form of phenylalaninium having D-configuration.
4-amino-5-formamidomethyl-2-methylpyrimidine
A member of the class of aminopyrimidine with the amino group at position 4 with additional methyl and formamidomethyl substituents at positions 2 and 5 respectively.
methyl 2-(4-hydroxyphenyl)acetate
A methyl ester resulting from the formal condensation of the carboxy group of 4-hydroxyphenylacetic acid with methanol. It has been isolated from Penicillium chrysogenum.
(E)-caffeyl alcohol
A caffeyl alcohol in which the double bond has E geochemistry.
norsalsolinol(1+)
A secondary ammonium ion that is the conjugate acid of norsalsolinol arising from the protonation of the amino group; major species at pH 7.3.
2,4-dihydroxy-5,6-dimethylbenzaldehyde
A dihydroxybenzaldehyde that is 2,4-dihydroxybenzaldehyde in which the hydrogens at positions 5 and 6 have been replaced by methyl groups.
(R)-3-Phenyllactic acid
A 3-phenyllactic acid that has (R)-configuration at the 2 position.
AA26-9
AA26-9 is a potent and broad spectrum serine hydrolase inhibitor. AA26-9 targets included serine peptidases, lipases, amidases, esterases, and thioesterases. AA26-9 shows inhibitory activity against approximately 1/3 of the 40+ serine hydrolases detected in immortalized T cell lines [1][2].
N-Acetylputrescine hydrochloride
N-Acetylputrescine hydrochloride is a putrescine derivative.
1-(2-hydrazino-4-methyl-5-pyrimidinyl)ethanone
{"Ingredient_id": "HBIN000864","Ingredient_name": "1-(2-hydrazino-4-methyl-5-pyrimidinyl)ethanone","Alias": "1-(2-hydrazino-4-methyl-pyrimidin-5-yl)ethanone; 1-(2-hydrazinyl-4-methylpyrimidin-5-yl)ethanone; 1-(2-hydrazinyl-4-methyl-pyrimidin-5-yl)ethanone; 93584-03-3; NSC373985","Ingredient_formula": "C7H10N4O","Ingredient_Smile": "CC1=NC(=NC=C1C(=O)C)NN","Ingredient_weight": "166.18 g/mol","OB_score": "38.52920074","CAS_id": "93584-03-3","SymMap_id": "SMIT10738","TCMID_id": "NA","TCMSP_id": "MOL009638","TCM_ID_id": "NA","PubChem_id": "341594","DrugBank_id": "NA"}
1-deoxy-d-glucitol
{"Ingredient_id": "HBIN002477","Ingredient_name": "1-deoxy-d-glucitol","Alias": "NA","Ingredient_formula": "C6H14O5","Ingredient_Smile": "CC(C(C(C(CO)O)O)O)O","Ingredient_weight": "166.17 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5176","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10678630","DrugBank_id": "NA"}
2,4-dimethoxybenzyldehyde
{"Ingredient_id": "HBIN004340","Ingredient_name": "2,4-dimethoxybenzyldehyde","Alias": "NA","Ingredient_formula": "C9H10O3","Ingredient_Smile": "COC1=CC(=CC(=C1)C=O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6208","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-deoxyaucubigenin; 1-ketone (lactone)
{"Ingredient_id": "HBIN012315","Ingredient_name": "6-deoxyaucubigenin; 1-ketone (lactone)","Alias": "NA","Ingredient_formula": "C9H10O3","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7576","PubChem_id": "NA","DrugBank_id": "NA"}
