Exact Mass: 310.026
Exact Mass Matches: 310.026
Found 254 metabolites which its exact mass value is equals to given mass value 310.026,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Sulfadoxine
Sulfadoxine is only found in individuals that have used or taken this drug. It is a long acting sulfonamide that is used, usually in combination with other drugs, for respiratory, urinary tract, and malarial infections. [PubChem]Sulfadoxine is a sulfa drug, often used in combination with pyrimethamine to treat malaria. This medicine may also be used to prevent malaria in people who are living in, or will be traveling to, an area where there is a chance of getting malaria. Sulfadoxine targets Plasmodium dihydropteroate synthase and dihydrofolate reductase. Sulfa drugs or Sulfonamides are antimetabolites. They compete with para-aminobenzoic acid (PABA) for incorporation into folic acid. The action of sulfonamides exploits the difference between mammal cells and other kinds of cells in their folic acid metabolism. All cells require folic acid for growth. Folic acid (as a vitamin) diffuses or is transported into human cells. However, folic acid cannot cross bacterial (and certain protozoan) cell walls by diffusion or active transport. For this reason bacteria must synthesize folic acid from p-aminobenzoic acid. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; INTERNAL_ID 1010
Diflubenzuron
Insecticide, interfering with chitin deposition by oral absorption. Diflubenzuron is used on soya beans, citrus, tea, vegetables and mushrooms. Also used as an insecticide in feed for poultry and pigs and as a controlled release bolus in cattl D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Same as: D07829
D-ribulose-1,5-bisphosphate
D-ribulose-1,5-bisphosphate, also known as ribulose-1,5-diphosphoric acid or ribulose-1,5 diphosphate, (D)-isomer, is a member of the class of compounds known as pentose phosphates. Pentose phosphates are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. D-ribulose-1,5-bisphosphate is soluble (in water) and a moderately acidic compound (based on its pKa). D-ribulose-1,5-bisphosphate can be found in a number of food items such as bamboo shoots, bog bilberry, chestnut, and other cereal product, which makes D-ribulose-1,5-bisphosphate a potential biomarker for the consumption of these food products. D-ribulose-1,5-bisphosphate may be a unique E.coli metabolite. Ribulose 1,5-bisphosphate (RuBP) is an organic substance that is involved in photosynthesis. It is a colourless anion, a double phosphate ester of the ketopentose (ketone-containing sugar with five carbon atoms) called ribulose. Salts of RuBP can be isolated, but its crucial biological function happens in solution. To simplify the presentation, the image in the above table depicts the acid form of this anion . KEIO_ID R005
D-Ribose 5-diphosphate
Ribose 1,5-bisphosphate
Ribose 1,5-bisphosphate (Rib-1,5-P2), a newly discovered activator of phosphofructokinase. It forms rapidly during the initiation of glycolytic flux and disappears within 20 s/ Ribose 1,5-bisphosphate is a potent regulator of the fructose 6-phosphate/fructose 1,6-bisphosphate cycle in the liver. Ribose 1,5-bisphosphate is a substrate for Ribose 1,5-bisphosphate phosphokinase (EC 2.7.4.23), an enzyme that catalyzes the chemical reaction. ATP + ribose 1,5-bisphosphate <-> ADP + 5-phospho-alpha-D-ribose 1-diphosphate. Ribose 1,5-bisphosphate (Rib-1,5-P2), a newly discovered activator of phosphofructokinase. It forms rapidly during the initiation of glycolytic flux and disappears within 20 s/ Ribose 1,5-bisphosphate is a potent regulator of the fructose 6-phosphate/fructose 1,6-bisphosphate cycle in the liver. Ribose 1,5-bisphosphate is a substrate for Ribose 1,5-bisphosphate phosphokinase (EC 2.7.4.23), an enzyme that catalyzes the chemical reaction
De-O-methylsterigmatocystin
De-O-methylsterigmatocystin is a mycotoxin of Aspergillus versicolor. Mycotoxin of Aspergillus versicolor
O-Ethyl S,S-diphenyl phosphorodithioate
Rice fungicid
Filiforminol
A tricyclic sesquiterpenoid that is isolated from the Australian marine alga Laurencia filiformis.
Sulfadimethoxine
Sulfadimethoxine (trade name Di-Methox, Albon) is a sulfonamide antibiotic. Sulfadimethoxine is used to treat many infections including treatment of respiratory, urinary tract, enteric, and soft tissue infections. It is most frequently used in veterinary medicine, although it is approved in some countries for use in humans. Sulfadimethoxine inhibits bacterial synthesis of folic acid (pteroylglutamic acid) from para-aminobenzoic acid. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01ED - Long-acting sulfonamides Long-acting sulfonamide, antibacterial agent. Potential food contaminant in animal products arising from its veterinary use C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
Mono-trans-p-coumaroylmesotartaric acid
trans-p-Coumaroyltartaric acid is found in alcoholic beverages. trans-p-Coumaroyltartaric acid is a constituent of grapes and wines Constituent of grapes and wines. trans-p-Coumaroyltartaric acid is found in alcoholic beverages, fruits, and common grape.
Aurantricholide B
Aurantricholide B is found in mushrooms. Aurantricholide B is a pigment isolated from the mushroom Suillus grevillei (larch bolete). Pigment isolated from the mushroom Suillus grevillei (larch bolete). Aurantricholide B is found in mushrooms.
4-Hydroxy-estazolam
4-Hydroxy-estazolam is a metabolite of estazolam. Estazolam (marketed under the brand names ProSom, Eurodin) is a benzodiazepine derivative drug developed by Upjohn in the 1970s. It possesses anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties. Estazolam is an intermediate-acting oral benzodiazepine. It is commonly prescribed for short-term treatment of insomnia. (Wikipedia)
1-Oxoestazolam
[(2R,3S,5R)-5-(2,4-Dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-fluorophosphinic acid
S-(N,N-Diethyldithiocarbamoyl)-N-acetyl-L-cysteine
Phosphono [(3S,4S)-3,4,5-trihydroxy-2-oxopentyl] hydrogen phosphate
Aplysinol
10-Bromo-3-laurene-7,12-diol
3-Benzo[b]furan-2-yl-2-(2-pyridylsulfonyl)acrylonitrile
2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(1,3-benzodioxol-5-yl)acetamide
4-Amino-2-{[4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-5-pyrimidinecarbonitrile
2-[(4-Chlorophenyl)sulfonyl]-3-piperidinoacrylonitrile
7-hydroxy-4,8-dimethoxy-2-oxochromene-5,6-dicarboxylic acid
5-methoxy-6,7-methylenedioxycoumaronochromone|aervin B
(-)-(2R)-2-[(E)-caffeoyloxy]glutaric acid|(-)-(E)-caffeoyl-(R)-2-oxoglutarate|mercurialis acid
2-hydroxy-3-O-trans-p-coumaroyl-1,2-propanedicarboxylic acid
8-methoxy-6,7-methylenedioxycoumaronochromone|aervin A
sulfadimethoxine
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01ED - Long-acting sulfonamides A sulfonamide consisting of pyrimidine having methoxy substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position. C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; INTERNAL_ID 2363 CONFIDENCE standard compound; INTERNAL_ID 8542 CONFIDENCE standard compound; EAWAG_UCHEM_ID 183 CONFIDENCE standard compound; INTERNAL_ID 1009
DIFLUBENZURON
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Same as: D07829 CONFIDENCE standard compound; INTERNAL_ID 492; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5071; ORIGINAL_PRECURSOR_SCAN_NO 5069 INTERNAL_ID 492; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5071; ORIGINAL_PRECURSOR_SCAN_NO 5069 CONFIDENCE standard compound; INTERNAL_ID 492; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5087; ORIGINAL_PRECURSOR_SCAN_NO 5086 CONFIDENCE standard compound; INTERNAL_ID 492; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5048; ORIGINAL_PRECURSOR_SCAN_NO 5047 CONFIDENCE standard compound; INTERNAL_ID 492; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5086; ORIGINAL_PRECURSOR_SCAN_NO 5085 CONFIDENCE standard compound; INTERNAL_ID 492; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5077; ORIGINAL_PRECURSOR_SCAN_NO 5076 CONFIDENCE standard compound; INTERNAL_ID 492; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5076; ORIGINAL_PRECURSOR_SCAN_NO 5075 CONFIDENCE standard compound; INTERNAL_ID 3388 CONFIDENCE standard compound; INTERNAL_ID 2332 INTERNAL_ID 2332; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 8458
2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxybutanedioic acid
D-Ribulose 1,5-bisphosphate
A ribulose phosphate that is D-ribulose attached to phosphate groups at positions 1 and 5. It is an intermediate in photosynthesis.
[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methanol
2-CHLORO-1-(4-TRIFLUOROMETHYL-BENZYL)-1H-BENZOIMIDAZOLE
2-(2-Bromo-3,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
5-BROMO-N-(2-(DIMETHYLAMINO)ETHYL)-1H-INDAZOLE-3-CARBOXAMIDE
Ethyl 6-chloro-4-hydroxy-5,8-dimethoxy-2-naphthoate
Ethyl 7-chloro-4-hydroxy-5,8-dimethoxy-2-naphthoate
4-Chloro-7-(3-chloropropoxy)-3-cyano-6-methoxyquinoline
3-CHLORO-3-(METHYLSULFONYL)-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
TERT-BUTYL 5-(BROMOMETHYL)-1H-BENZO[D]IMIDAZOLE-1-CARBOXYLATE
Methyl (3S)-4-bromo-3-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}bu tanoate
3-(BENZO[D][1,3]DIOXOL-5-YL)-5-(TRIFLUOROMETHYL)BENZOIC ACID
tert-Butyl 5-bromo-6-methyl-1H-indazole-1-carboxylate
2-[2-(5-Nitro-furan-2-yl)-vinyl]-quinoline-4-carboxylic acid
5-(CHLOROMETHYL)-3-(4-[5-(CHLOROMETHYL)-1,2,4-OXADIAZOL-3-YL]PHENYL)-1,2,4-OXADIAZOLE
5-Amino-2-chloro-N-(2,4-dimethylphenyl)-benzenesulfonamide
azane,(3,4,5,6-tetrahydroxythian-2-yl)methyl dihydrogen phosphate
Ethyl 2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
Methyl 1-(2-bromophenyl)-4-oxocyclohexanecarboxylate
methyl 1-(4-bromophenyl)-4-oxocyclohexane-1-carboxylate
Ethyl 4-bromo-6-methoxy-1,5-naphthyridine-3-carboxylate
p-Chlorobenzoyl peroxide Bis(p-ehlorobenzoyl)peroxide
5-bromo-4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one
1-(4-CHLORO-3-METHYLPHENYL)-3-(2,6-DICHLOROPHENYL)PROP-2-EN-1-ONE
Ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate
Ethanone,1-(4-amino-3,5-dichlorophenyl)-2-[(1,1-dimethylethyl)amino]-, hydrochloride(1:?)
1H-Pyrrolo[2,3-b]pyridine, 5-bromo-1-[(1,1-dimethylethyl)dimethylsilyl]-
TERT-BUTYL 5-(BROMOMETHYL)-1H-INDAZOLE-1-CARBOXYLATE
2-(2-Hydroxy-1,1,1,3,3,3-hexafluoropropyl)-1-naphthol
METHYL 4-(TRIFLUOROMETHYL)-6-(FURAN-2-YL)-1H-PYRROLO[2,3-B]PYRIDINE-2-CARBOXYLATE
ethyl 4-(2-bromoethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate
(1R,2R)-METHYL 2-(4-BROMOBENZOYL)CYCLOPENTANECARBOXYLATE
TERT-BUTYL 3-(BROMOMETHYL)-1H-INDAZOLE-1-CARBOXYLATE
ethyl 5-amino-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate
1H-Inden-1-one,2,3-dihydro-2-[(5-pyrazinyl-1,3,4-oxadiazol-2-yl)thio]-(9CI)
7-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidine-5-carbonitrile
DIETHYL 2,2-(1,3-DITHIETANE-2,4-DIYLIDENE)BIS(CYANOACETATE)
ETHYL 2-(6-CHLORO-2-(4-CHLOROPHENYL)PYRIMIDIN-4-YL)ACETATE
Sodium 2-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydro-naphthalene-2-sulfonate
N-(2-(2-BROMO-5-METHOXY-1H-INDOL-3-YL)ETHYL)ACETAMIDE
2-(2-(2-Bromoethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1,2-Ethanediamine, N2-[3-bromo-5-(trifluoromethyl)phenyl]-N1,N1-dimethyl
1,2-Ethanediamine, N2-[2-bromo-4-(trifluoromethyl)phenyl]-N1,N1-dimethyl-
methyl 2-cyano-2-[4-(1-cyano-2-methoxy-2-oxoethylidene)-1,3-dithietan-2-ylidene]acetate
Methyl 1-(3-bromophenyl)-4-oxocyclohexanecarboxylate
1,2,3,4-TETRAHYDRO-6-METHYL-4-(4-BROMOPHENYL)-2-OXO-5-PYRIMIDINECARBOXYLIC ACID
1-[[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL]PIPERAZINE
8-Chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-ol
5-(4-Morpholinylsulfonyl)-1H-indole-3-carboxylic acid
2-[[3-(4-Methoxyphenyl)-1,2,4-thiadiazol-5-yl]thio]acetic acid ethyl ester
(4s-trans)-4-(Methylamino)-5,6-dihydro-6-methyl-4h-thieno(2,3-b)thiopyran-2-sulfonamide-7,7-dioxide
4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}aniline
(3aS-cis)-3a,12a-Dihydro-4,6-dihydroxy-5H-furo(3,2:4,5)furo(3,2-b)xanthen-5-one
trichloroethyl beta-D-glucoside
A beta-D-glucoside in which the anomeric substituent is specified as 2,2,2-trichloroethyl.
[(2R,3S,5R)-5-(2,4-Dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-fluorophosphinic acid
dihydroresveratrol-3-O-sulfate
An organic sulfate that consists of dihydroresveratrol substituted by a sulfate group at position 3. It is a metabolite of dihydroresveratrol.
Phosphono [(3S,4S)-3,4,5-trihydroxy-2-oxopentyl] hydrogen phosphate
2-Acetamido-3-(diethylcarbamothioyldisulfanyl)propanoic acid
O2-[3-(trifluoromethyl)benzoyl]pyrazine-2-carbohydroximamide
(4Z)-4-(4-hydroxybenzylidene)-3-(3-nitrophenyl)isoxazol-5(4H)-one
1-(5-Tert-butyl-1,3,4-thiadiazol-2-yl)-3-(4-chlorophenyl)urea
4-[[(2-methyl-5-nitro-1H-imidazol-4-yl)thio]methyl]-2-nitrophenol
7-(4-Quinazolinyloxymethyl)-5-thiazolo[3,2-a]pyrimidinone
2-[[1-(4-Chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-methylamino]acetic acid methyl ester
3-chloro-N-(5-chloro-2-pyridinyl)-4-ethoxybenzamide
1-(2-Chlorophenyl)-3-[(2-chlorophenyl)methyl]thiourea
9-chloro-3-(pyridin-4-ylmethyl)-5H-pyrimido[5,4-b]indol-4-one
(6R,7R,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
6-(1-Benzofuran-4-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
4-[(Z)-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]methyl]cyclohexa-3,5-diene-1,2-dione
12-Bromo-15-hydroxybicyclo(8.3.2)pentadeca-1(13),10(15),11-trien-14-one
SULFADOXINE
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
HTL14242
HTL14242 (HTL0014242) is an advanced and orally active mGlu5 NAM with a pKi?and a pIC50 of 9.3 and 9.2, respectively[1]. HTL14242 can be used for the research of parkinson’s disease[2].
VAS 3947
VAS 3947, a specific NADPH oxidase (NOX) inhibitor, exerts a potent antiplatelet effect. VAS3947 induces apoptosis independently of anti-NOX activity, via UPR activation, mainly due to aggregation and misfolding of proteins[1][2].
1,1,5,10-tetraoxo-2h,3h,4h,6h,7h-1λ⁶-[1,4]thiazino[2,3-g]quinoline-7-carboxylic acid
2-hydroxy-2-(hydroxymethyl)butanedioic acid,9ci; (ξ)-form,1'-o-(4-hydroxy-e-cinnamoyl)
{"Ingredient_id": "HBIN005727","Ingredient_name": "2-hydroxy-2-(hydroxymethyl)butanedioic acid,9ci; (\u03be)-form,1'-o-(4-hydroxy-e-cinnamoyl)","Alias": "NA","Ingredient_formula": "C14H14O8","Ingredient_Smile": "NA","Ingredient_weight": "310.26","OB_score": "NA","CAS_id": "81476-15-5","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8626","PubChem_id": "NA","DrugBank_id": "NA"}
2-hydroxy-2-(hydroxymethyl)butanedioic acid,9ci; (ξ)-form,1'-o-(4-hydroxy-z-cinnamoyl)
{"Ingredient_id": "HBIN005728","Ingredient_name": "2-hydroxy-2-(hydroxymethyl)butanedioic acid,9ci; (\u03be)-form,1'-o-(4-hydroxy-z-cinnamoyl)","Alias": "NA","Ingredient_formula": "C14H14O8","Ingredient_Smile": "NA","Ingredient_weight": "310.26","OB_score": "NA","CAS_id": "81474-66-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8625","PubChem_id": "NA","DrugBank_id": "NA"}
aristololide; 9-hydroxy
{"Ingredient_id": "HBIN016825","Ingredient_name": "aristololide; 9-hydroxy","Alias": "NA","Ingredient_formula": "C17H10O6","Ingredient_Smile": "NA","Ingredient_weight": "310.26","OB_score": "NA","CAS_id": "169217-50-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6654","PubChem_id": "NA","DrugBank_id": "NA"}
aristolophenanlactone i
{"Ingredient_id": "HBIN016828","Ingredient_name": "aristolophenanlactone i","Alias": "NA","Ingredient_formula": "C17H10O6","Ingredient_Smile": "COC1=CC=CC2=C3C4=C(C(=C21)O)OC(=O)C4=CC5=C3OCO5","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1724","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
