Exact Mass: 242.0306
Exact Mass Matches: 242.0306
Found 500 metabolites which its exact mass value is equals to given mass value 242.0306,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Ethoprophos
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3651
5-phosphonooxy-L-lysine
5-phosphonooxy-l-lysine is a substrate for: Hydroxylysine kinase, and 5-phosphohydroxy-L-lysine phospho-lyase.
Inositol cyclic phosphate
Inositol cyclic phosphate is a substrate for Annexin A3. [HMDB] Inositol cyclic phosphate is a substrate for Annexin A3.
Bretylium
Bretylium blocks the release of noradrenaline from the peripheral sympathetic nervous system, and is used in emergency medicine, cardiology, and other specialties for the acute management of ventricular tachycardia and ventricular fibrillation. The primary mode of action for bretylium is thought to be inhibition of voltage-gated K(+) channels. Recent evidence has shown that bretylium may also inhibit the Na,K-ATPase by binding to the extracellular K-site. C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
5-(Methylthio)-2,3-dioxopentyl phosphate
5-(Methylthio)-2,3-dioxopentyl phosphate, also known as 1-phospho-2,3-diketo-5-S-methylthiopentane or 2,3-diketo-5-methylthiopentyl-1-phosphate (DK-MTP-1-P), belongs to the class of organic compounds known as monoalkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly one alkyl chain. 5-(Methylthio)-2,3-dioxopentyl phosphate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 5-(Methylthio)-2,3-dioxopentyl phosphate exists in all eukaryotes, ranging from yeast to humans. 5-(Methylthio)-2,3-dioxopentyl phosphate is a metabolite involved in the cysteine and methionine metabolism pathway. It is a substrate for both E1 enolase-phosphatase and methylthioribulose-1-phosphate dehydratase. Outside of the human body, 5-(methylthio)-2,3-dioxopentyl phosphate can be found in a number of food items such as lime, pineapple, spearmint, and yautia. This makes 5-(methylthio)-2,3-dioxopentyl phosphate a potential biomarker for the consumption of these food products. 5-(methylthio)-2,3-dioxopentyl phosphate, also known as 1-phospho-2,3-diketo-5-S-methylthiopentane or 2,3-diketo-5-methylthio-1-phosphopentane, is a member of the class of compounds known as monoalkyl phosphates. Monoalkyl phosphates are organic compounds containing a phosphate group that is linked to exactly one alkyl chain. 5-(methylthio)-2,3-dioxopentyl phosphate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 5-(methylthio)-2,3-dioxopentyl phosphate can be found in a number of food items such as narrowleaf cattail, kumquat, ginseng, and gooseberry, which makes 5-(methylthio)-2,3-dioxopentyl phosphate a potential biomarker for the consumption of these food products. 5-(methylthio)-2,3-dioxopentyl phosphate exists in all eukaryotes, ranging from yeast to humans.
2-hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate
2-hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate is a member of the class of compounds known as phosphate esters. Phosphate esters are organic compounds containing phosphoric acid ester functional group, with the general structure R1P(=O)(R2)OR3. R1,R2 = O,N, or halogen atom; R3 = organyl group. 2-hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 2-hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate can be found in a number of food items such as alaska wild rhubarb, garden rhubarb, towel gourd, and mung bean, which makes 2-hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate a potential biomarker for the consumption of these food products.
Benzoyl peroxide
Benzoyl peroxide is found in cereals and cereal products. Added to bread and cheese as bleaching agent Benzoyl peroxide is an organic compound in the organic peroxide family. It consists of two benzoyl groups joined by a peroxide group. Its structural formula is [C6H5-C(O)]2O2. It is one of the most important organic peroxides in terms of applications and the scale of its production. Benzoyl peroxide is used as an acne treatment, for improving flour, for bleaching hair and teeth, for polymerising polyester and many other uses. In the U. S., the typical concentration for benzoyl peroxide is 2.5\\% to 10\\% for both prescription and over the counter preparations that are used in treatment for acne. Higher concentrations are used for hair bleach and teeth whitening. Benzoyl peroxide, like most peroxides, is a powerful bleaching agent. Contact with fabrics or hair can cause permanent color dampening almost immediately. Even secondary contact can cause bleaching. For example, contact with a towel that has been used to wash off benzoyl peroxide-containing hygiene products.[citation needed D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AE - Peroxides C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D003879 - Dermatologic Agents
6-Deoxy-6-sulfoglucono-1,5-lactone
A carbohydrate sulfonate that is D-glucono-1,5-lactone in which the 6-hydroxy group is replaced by a sulfo group.
Uridine-5-aldehyde
A pyrimidine nucleoside that is uridine in which the 5-hydroxy group has been oxidised to the corresponding aldehyde.
2-dehydro-3,6-dideoxy-6-sulfo-D-gluconic acid
A carbohydrate sulfonate that is 3-deoxy-D-erythro-hex-2-ulosonic acid in which the hydroxy group at position 6 is replaced by a sulfo group.
Moracin M
Moracin M is a member of benzofurans. Moracin M is a natural product found in Morus insignis, Morus mesozygia, and other organisms with data available. Moracin M is found in fruits. Moracin M is isolated from Morus alba (white mulberry) infected with Fusarium solani. Isolated from Morus alba (white mulberry) infected with Fusarium solani. Moracin M is found in fruits. Moracin M, a phenolic component in the skin of Morus alba Linn., is a potent phosphodiesterase-4 (PDE4) inhibitor with IC50 values of 2.9, 4.5, >40, and >100 μM for PDE4D2, PDE4B2, PDE5A1, and PDE9A2, respectively. Moracin M has anti-inflammatory activity[1]. Moracin M, a phenolic component in the skin of Morus alba Linn., is a potent phosphodiesterase-4 (PDE4) inhibitor with IC50 values of 2.9, 4.5, >40, and >100 μM for PDE4D2, PDE4B2, PDE5A1, and PDE9A2, respectively. Moracin M has anti-inflammatory activity[1].
2,4,5,6-Phenanthrenetetrol
2,4,5,6-Phenanthrenetetrol is found in root vegetables. 2,4,5,6-Phenanthrenetetrol is isolated from rhizomes of Dioscorea bulbifera (air potato). Isolated from rhizomes of Dioscorea bulbifera (air potato). 2,4,5,6-Phenanthrenetetrol is found in root vegetables.
2-Chloro-4-[(dimethylcarbamoyl)amino]benzoic acid
(2S)-2-Amino-4-(2-amino-4-chlorophenyl)-4-oxobutanoic acid
[(2S,3S,4S,5S,6R)-4,5-Dihydroxy-2,6-dimethyloxan-3-yl] hydrogen sulfate
(6S,7R)-2,6,7,8-Tetrahydroxy-2-oxo-1,3,2lambda5-dioxaphosphonan-5-one
beta-L-fucose 1-phosphate
beta-l-fucose 1-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). beta-l-fucose 1-phosphate can be found in a number of food items such as yellow pond-lily, black salsify, rice, and gram bean, which makes beta-l-fucose 1-phosphate a potential biomarker for the consumption of these food products.
Furomollugin
Furomollugin is a natural product found in Galium mollugo, Rubia cordifolia, and Rubia oncotricha with data available.
N-(4-Methyl-5-oxo-4,5-dihydro-[1,2]dithiolo[4,3-b]pyrrol-6-yl)propionamide
6,24-Trihydroxy-2-phenylbenzofuran
6,24-Trihydroxy-2-phenylbenzofuran is a member of benzofurans. 2-(2,4-Dihydroxyphenyl)-6-hydroxybenzofuran is a natural product found in Hedysarum polybotrys, Lespedeza cyrtobotrya, and Lespedeza homoloba with data available.
33FTA
Disclaimer: While authors make an effort to ensure that the content of this record is accurate, the authors make no representations or warranties in relation to the accuracy or completeness of the record. This record do not reflect any viewpoints of the affiliation and organization to which the authors belong.
4,5-Dihydro-4-hydroxy-5-(9-hydroxy-1,3,5,7-decatetraynyl)-2(3H)-furanone
3,5-Di-Me ether-3,4,5-Trihydroxy-1,2-benzenedicarboxylic acid
7-(tetrahydro-4-methylene-2-oxo-3-furanyl)-2h-1-benzopyran-2-one
4-chloro-6-methoxymellein|4-chloro-8-hydroxy-6-methoxy-3-methylisochroman-1-one
1-Methoxy-4-hydroxyxanthon|4-hydroxy-1-methoxy-xanthen-9-one|5-hydroxy-8-methoxyxanthone
(E)-6-[2-(benzo[1,3]dioxol-5-yl)vinyl]pyran-2-one|6-(3,4-Methylenedioxystyryl)-alpha-pyrone
Anthracen-1,2,6,9-tetraol|anthracene-1,2,6,9-tetraol
6-(4-Hydroxyphenyl)-1,3-benzodioxole-5-carbaldehyde
(Z)-7-methanesulfonyl-trideca-1,7-diene-3,5,9,11-tetrayne|trans-7-Methylsulfonyl-tridecadien-(1.7)-tetrain-(3.5.9.11)
3-Hydroxy-2-methyl-2H-naphtho[2,3-b]pyran-5,10-dione
7-chloro-8-hydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one
C11H11ClO4_1H-2-Benzopyran-1-one, 5-chloro-3,4-dihydro-8-hydroxy-6-methoxy-3-methyl
Bretylium
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
Moracin M
Moracin M, a phenolic component in the skin of Morus alba Linn., is a potent phosphodiesterase-4 (PDE4) inhibitor with IC50 values of 2.9, 4.5, >40, and >100 μM for PDE4D2, PDE4B2, PDE5A1, and PDE9A2, respectively. Moracin M has anti-inflammatory activity[1]. Moracin M, a phenolic component in the skin of Morus alba Linn., is a potent phosphodiesterase-4 (PDE4) inhibitor with IC50 values of 2.9, 4.5, >40, and >100 μM for PDE4D2, PDE4B2, PDE5A1, and PDE9A2, respectively. Moracin M has anti-inflammatory activity[1].
cis-Cyhalothric acid
7-(4-methylphenyl)-4-thia-1,6-diazabicyclo[3.3.0]octa-2,5,7-triene-8-carbaldehyde
3H-Pyrazol-3-one,2,4-dihydro-5-methyl-2-[3-(trifluoromethyl)phenyl]-
5-[(5-chloropyridin-2-yl)amino]-5-oxopentanoic acid
3a-(Trifluoromethyl)-2,3,3a,4-tetrahydro-1H-benzo[d]pyrrolo[1,2-a]imidazol-1-one
(3-(TRIFLUOROMETHYL)-1-PHENYL-1H-PYRAZOL-4-YL)METHANOL
ETHYL 4-AMINO-3-METHYLTHIENO[2,3-C]ISOTHIAZOLE-5-CARBOXYLATE
4-CHLORO-10,11-DIHYDRO-DIBENZO[A,D]CYCLOHEPTEN-5-ONE
3,5-Dinitro-4-hydroxyphenylacetic acid
D010575 - Pesticides > D005659 - Fungicides, Industrial > D004140 - Dinitrophenols
1-METHYL-2-OXO-1,2-DIHYDRO-QUINOLINE-4-CARBOXYLIC ACID
1-(2-CHLORO-4-FLUOROPHENYL)CYCLOPENTANECARBOXYLIC ACID
1-(trifluoromethoxy)-2-(2-(trifluoromethoxy)ethoxy)ethane
10-Methoxy-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one
3-methyl-9-phenyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,6-triene-5-thione
4-methyl-3-methylsulfanyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
1-(2-chloro-6-fluorophenyl)cyclopentanecarboxylic acid
(Z)-2-Amino-alpha-(methoxyimino)-N-(2-oxoethyl)-4-thiazoleacetamide
(2,2-DIMETHYL-1-PYRROLIDIN-1-YLMETHYL-PROPYL)-METHYL-AMINE
4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoic acid
5-HYDROXY-2-METHYLNAPHTHO[1,2-B]FURAN-3-CARBOXYLIC ACID
7-Chloro-5-methyl-2-phenyl-1H-pyrrolo[3,2-b]pyridine
2-(TRIFLUOROACETYL)-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE
methylsulphonal
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
2-(Trifluoromethyl)-1,6-naphthyridine-3-carboxylic acid
Dimethyl (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate
1-Benzyl-4-(Chloromethyl)-1H-Pyrazole Hydrochloride
4-(N,N-Dimethylaminosulfonyl)-7-amino-2,1,3-benzoxadiazole
2,2,2-TRIFLUORO-1-(4-(TRIFLUOROMETHYL)PHENYL)ETHANONE
5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carbaldehyde
5-methyl-7-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-thione
N-(TERT-BUTYL)-7-CHLOROTHIAZOLO[5,4-D]PYRIMIDIN-2-AMINE
2-CHLORO-N-{[(4-METHOXYPHENYL)AMINO]CARBONYL}ACETAMIDE
2-phenyl-6-(trifluoromethyl)-4,5-dihydropyridazin-3-one
(3R)-Tetrahydrofuran-3-yl 4-methylbenzenesulfonate
potassium (4-methoxycarbonylphenyl)trifluoroborate
2-(2,5-dichlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one
1,4,5,6-tetrahydropyrimidin-2-ylhydrazine,hydroiodide
Mitozolomide
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
5-METHYL-1-PHENYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-4-OL
3-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propanamine(SALTDATA: 2HCl)
[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanol
3-(6-Chloro-5-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
Ethanone,2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]-
6-(2-chloroethyl)-3,7-dimethyl-5H-thiazolo[3,2-a]pyrimidin-5-one
Tipiracil
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
N-[2-(diethylamino)-2-oxoethyl]-N-methylsulfamoyl chloride
(6E)-6-benzylidene-7H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
sodium,formaldehyde,hydrogen sulfite,2-methylphenol
ethyl 3-amino-4-cyano-5-(methylthio)thiophene-2-carboxylate
1-(2,2-Difluorobenzo[1,3]dioxol-5-yl)-cyclopropanecarboxylic acid
3-[(AMINOCARBONYL)AMINO]-3-(4-CHLOROPHENYL)PROPANOIC ACID
1-(2-isopropylthiazol-4-yl)-N-methylmethanamine dihydrochloride
(4-Chloro-5-Methyl-3-Trifluoromethyl-Pyrazol-1-Yl)-Acetic Acid
5-CHLORO-4,6-DIMETHYL-2-OXO-1,2-DIHYDRO-PYRIDINE-3-CARBOXYLIC ACID
1-(2-FLUORO-BENZOYLAMINO)-CYCLOHEXANECARBOXYLICACID
2-[(2-fluoro-5-methoxyphenyl)methyl]propanedioic acid
2-(Trifluoromethyl)-1,8-naphthyridine-3-carboxylic acid
4-chloromethyl-6,7-dimethoxy-3H-isobenzofuran-1-one
DiMethyl 2-(Methylthio)pyriMidine-4,5-dicarboxylate
2-PROPENOIC ACID, 2-HYDROXY-3-[4-(METHYLSULFONYL)PHENYL]-
(2S)-2-Amino-4-(2-amino-4-chlorophenyl)-4-oxobutanoic acid
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent C26170 - Protective Agent > C1509 - Neuroprotective Agent
3,6-Anhydro-2-(hydrogen sulfate)-alpha-D-galactopyranose
aureothricin
A dithiolopyrrolone antibiotic that is 4,5-dihydro[1,2]dithiolo[4,3-b]pyrrole in which the hydrogens at positions 4,5 and 6 have been replaced by methyl, oxo and propanoylamino groups, respectively. It is a moderate antimicrobial by-product of the thiolutin fermentation in various Streptomyces species.
Pacific blue
A hydroxycoumarin having the hydroxy group located at position 7 and bearing two fluoro substituents at positions 6 and 8 as well as a carboxy group at position 3. A fluorescent dye of excitation wavelength 403 nm and emission wavelength 455 nm.
6-(2-methyl-3-imidazo[1,2-a]pyridinyl)-1H-pyrimidine-2-thione
5-(1-Methyl-2-benzimidazolyl)-2-thiophenecarboxaldehyde
7-Chloro-3,4-dihydro-8-hydroxy-6-methoxy-3-methyl-1H-2-benzopyran-1-one
beta-L-fucose 1-phosphate
beta-l-fucose 1-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). beta-l-fucose 1-phosphate can be found in a number of food items such as yellow pond-lily, black salsify, rice, and gram bean, which makes beta-l-fucose 1-phosphate a potential biomarker for the consumption of these food products. β-l-fucose 1-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). β-l-fucose 1-phosphate can be found in a number of food items such as yellow pond-lily, black salsify, rice, and gram bean, which makes β-l-fucose 1-phosphate a potential biomarker for the consumption of these food products.
(2,3-Dihydroxy-4,5-dioxohexyl) dihydrogen phosphate
2-Hydroxy-5-(methylsulfanyl)-3-oxopent-1-enyl phosphate
N-[2-chloro-6-(4-chloro-1H-pyrrol-3-yl)phenyl]hydroxylamine
9-Amino-2-imino-1-methyl-6,11-dioxa-1,3-diazaspiro[4.6]undecane-4,7,10-trione
(6S,7R)-2,6,7,8-Tetrahydroxy-2-oxo-1,3,2lambda5-dioxaphosphonan-5-one
2,3-dihydro-1H-[1,3]thiazino[2,3:3,4][1,2,4]triazino[5,6-b]indole
[(2S)-2-(2-azaniumylpropanoyloxy)-3-hydroxypropyl] phosphate
(2Z)-2-[(3,4-dichlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
[4-[(Z)-2-methyl-3-oxoprop-1-enyl]phenyl] hydrogen sulate
[3-[(Z)-2-methyl-3-oxoprop-1-enyl]phenyl] hydrogen sulate
BENZOYL PEROXIDE
D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AE - Peroxides C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D003879 - Dermatologic Agents
Bretylium
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate
2-deoxy-D-glucose 6-phosphate(2-)
Dianion of 2-deoxy-D-glucose 6-phosphate arising from deprotonation of both phosphate OH groups.
(4-hydroxy-3,5-dinitrophenyl)acetic acid
A member of the class of phenylacetic acids that is phenylacetic acid in which the phenyl group is substituted by nitro, hydroxy and nitro groups at positions 3, 4 and 5 respectively.
erythro-5-phosphonooxy-L-lysine
The 5-phosphonooxy derivative of L-lysine having erythro-stereochemistry.
3,5-dinitrosalicylic acid hydrazide
A carbohydrazide resulting from the formal condensation of the carboxy group of 3,5-dinitrosalicylic acid with one of the amino groups of hydrazine. It is a metabolite of nifursol found in foodstuffs of animal origin.
L-rhamnulose 1-phosphate(2-)
An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of L-rhamnulose 1-phosphate; major species at pH 7.3.
BPAM344
BPAM344 is a kainate receptor (KAR) subunits GluK1b, GluK2a, and GluK3a positive allosteric modulator (PAM)[1].
(3s)-5-chloro-6,8-dihydroxy-3,7-dimethyl-3,4-dihydro-2-benzopyran-1-one
(3r)-5-chloro-8-hydroxy-6-methoxy-3-methyl-3,4-dihydro-2-benzopyran-1-one
1-(ethylsulfanyl)-1-{[1-(ethylsulfanyl)ethyl]disulfanyl}ethane
[(2s,3s,4s,5r)-3,4,5-trihydroxy-6-oxooxan-2-yl]methanesulfonic acid
5-chloro-6-hydroxy-8-methoxy-3-methyl-3,4-dihydro-2-benzopyran-1-one
(12r,16s)-15-methylidene-3,11,13-trioxatetracyclo[8.6.0.0²,⁷.0¹²,¹⁶]hexadeca-1,5,7,9-tetraen-4-one
n-{4-methyl-5-oxo-[1,2]dithiolo[4,3-b]pyrrol-6-yl}propanimidic acid
(4r,5s,6s,7r)-2,4,5,6,7-pentahydroxy-hexahydro-1,3,2λ⁵-benzodioxaphosphol-2-one
3-(hydroxymethyl)-8-methylnaphtho[2,3-b]furan-4,9-dione
5-chloro-8-hydroxy-6-methoxy-3-methyl-3,4-dihydro-2-benzopyran-1-one
4,5-methylenedioxy-4'-hydroxy-2-aldehyde-[1,1'-biphenyl]
{"Ingredient_id": "HBIN010043","Ingredient_name": "4,5-methylenedioxy-4'-hydroxy-2-aldehyde-[1,1'-biphenyl]","Alias": "NA","Ingredient_formula": "C14H10O4","Ingredient_Smile": "C1OC2=C(O1)C=C(C(=C2)C=O)C3=CC=C(C=C3)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14362","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-hydroxy-7-methoxyxanthone
{"Ingredient_id": "HBIN012412","Ingredient_name": "6-hydroxy-7-methoxyxanthone","Alias": "NA","Ingredient_formula": "C14H10O4","Ingredient_Smile": "COC1=CC2=C(C=C1)OC3=C(C2=O)C=CC=C3O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10462","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
Anthocyanins
{"Ingredient_id": "HBIN016280","Ingredient_name": "Anthocyanins","Alias": "NA","Ingredient_formula": "C15H11ClO","Ingredient_Smile": "C1=CC=C(C=C1)C2=[O+]C3=CC=CC=C3C=C2.[Cl-]","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32684","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
