Exact Mass: 490.1101
Exact Mass Matches: 490.1101
Found 333 metabolites which its exact mass value is equals to given mass value 490.1101
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
L-2-Aminoadipate adenylate
L-2-Aminoadipate adenylate is an intermediate in Lysine biosynthesis. L-2-Aminoadipate adenylate is the 4th to last step in the synthesis of L-Lysine and is converted from L-2-Aminoadipate via the enzyme aminoadipate-semialdehyde dehydrogenase (EC 1.2.1.31). It is then converted to alpha-Aminoadipoyl-S-acyl enzyme via the enzyme aminoadipate-semialdehyde dehydrogenase (EC 1.2.1.31). [HMDB] L-2-Aminoadipate adenylate is an intermediate in Lysine biosynthesis. L-2-Aminoadipate adenylate is the 4th to last step in the synthesis of L-Lysine and is converted from L-2-Aminoadipate via the enzyme aminoadipate-semialdehyde dehydrogenase (EC 1.2.1.31). It is then converted to alpha-Aminoadipoyl-S-acyl enzyme via the enzyme aminoadipate-semialdehyde dehydrogenase (EC 1.2.1.31).
Kaempferol 3-(6-acetylgalactoside)
Kaempferol 3-(6-acetylgalactoside) is found in green vegetables. Kaempferol 3-(6-acetylgalactoside) is a constituent of the flowers of Trifolium repens (white clover) Constituent of the flowers of Trifolium repens (white clover). Kaempferol 3-(6-acetylgalactoside) is found in tea, herbs and spices, and green vegetables.
2'-O-Acetylisoorientin
2-O-Acetylisoorientin is found in green vegetables. 2-O-Acetylisoorientin is isolated from sorrel leaves (Rumex acetosa). Isolated from sorrel leaves (Rumex acetosa). 2-Acetylisoorientin is found in green vegetables and sorrel.
Irisolidone 7-O-glucuronide
Irisolidone 7-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
4',5,6-Trimethylscutellarein 7-glucoside
4,5,6-Trimethylscutellarein 7-glucoside is found in fruits. 4,5,6-Trimethylscutellarein 7-glucoside is a constituent of Juniperus communis (juniper). Constituent of Juniperus communis (juniper). 4,5,6-Trimethylscutellarein 7-glucoside is found in fruits.
Lignosulfonic acid
D001697 - Biomedical and Dental Materials
Mandol
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
N-(4-(7-Diethylamino 4-methylcoumarin-3-yl)phenyl)iodoacetamide
Tesevatinib
Quercetin 3-O-acetyl-rhamnoside
Quercetin 3-o-acetyl-rhamnoside is a member of the class of compounds known as flavonoid-3-o-glycosides. Flavonoid-3-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Quercetin 3-o-acetyl-rhamnoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Quercetin 3-o-acetyl-rhamnoside can be found in common grape, highbush blueberry, rubus (blackberry, raspberry), and summer grape, which makes quercetin 3-o-acetyl-rhamnoside a potential biomarker for the consumption of these food products.
Kaempferol 3-O-acetyl-glucoside
Kaempferol 3-o-acetyl-glucoside is a member of the class of compounds known as flavonoid-3-o-glycosides. Flavonoid-3-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Kaempferol 3-o-acetyl-glucoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Kaempferol 3-o-acetyl-glucoside can be found in common bean, green bean, and yellow wax bean, which makes kaempferol 3-o-acetyl-glucoside a potential biomarker for the consumption of these food products.
2'-Acetylorientin
2-acetylorientin is a member of the class of compounds known as flavonoid 8-c-glycosides. Flavonoid 8-c-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to 8-position of a 2-phenylchromen-4-one flavonoid backbone. 2-acetylorientin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2-acetylorientin can be found in sorrel, which makes 2-acetylorientin a potential biomarker for the consumption of this food product.
Irifloside
Nyssoside
Nyssoside is a natural product found in Crypteronia paniculata, Camptotheca acuminata, and other organisms with data available.
Orientin 2-acetate
7-Hydroxy-2,4,5-trimethoxyisoflavone 7-O-glucoside
Orientin 6-acetate
Quercitryl-2 acetate
Viviparum B
Hispidulin 7-methylglucuronide
LETHEDOSIDE A
Scutellarein 6,7-dimethyl ether 4-glucuronide
3,4,7-Tri-O-methylisoorientin
6,7-Dihydroxy-3-methoxy-4,5-methylenedioxyisoflavone 6-O-glucoside
6-O-Acetylastragalin
Isoorientin 2-acetate
Dalspinin 7-O-galactoside
3,4,5,7-Tetra-Me ether,3-O-L-arabinoside-3,3,4,5,7-Pentahydroxyflavone
3-methyl-3,4-O,O-methylidene-4-O-beta-D-glucopyranosyl-ellagic acid
6-hydroxykaempferol-7-O-(6-O-acetyl-beta-glucopyranoside)
5,7-dihydroxy-8,4-dimethoxyflavone 7-O-beta-D-glucoronide
5-hydroxy-6-methyl-7,4-dimethoxyflavone-8-O-beta-D-glucopyranoside
5,6,7,4-tetrahydroxyflavone-7-O-(6-O-acetyl)-beta-D-glucopyranoside
3,5,7,8-tetrahydroxy-4-methoxyflavone 8-O-beta-D-glucopyranosiduronic acid methyl ester
<3-(1-beta-D-glucosyloxy)-2-hydroxy>benzoyl 3-(3-phthalidyl)-propyl ester|[3-(1-beta-D-glucosyloxy)-2-hydroxy]benzoyl 3-(3-phthalidyl)-propyl ester
2-(3,4-methylenedioxyphenyl)-ethyl-(6-O-caffeoyl)-beta-D-glucopyranoside
1,3,6-trihydroxy-2-hydroxymethyl-9,10-anthraquinone-3-O-(6-beta-O-acetyl)-D-glucopyranoside
1-kestose|beta-D-Fruf-(2->1)-beta-D-Fruf-(2<->1)-alpha-D-Glcp
(-)-(E)-3,5-dimethoxyphenylpropenoic acid 4-O-beta-D-(6-O-benzoyl)glucopyranoside
3-formyl-6,4-dihydroxy-2-methoxy-5-methylchalcone 4-O-beta-D-glucopyranoside
5-O-(6-acetyl-beta-D-glucopyranosyl)-7,3,4-trihydroxy-4-phenylcoumarin|5-O-(6?-acetyl-beta-D-glucopyranosyl)-7,3?,4?-trihydroxy-4-phenylcoumarin
O4(?)-[4-((5S)-5-carboxy-beta-D-xylopyranosyloxy)-benzoyl]-D-glucuronic acid|O4(?)-[4-((5S)-5-Carboxy-beta-D-xylopyranosyloxy)-benzoyl]-D-glucuronsaeure
(1R,4aS,9aR,E)-3-(3,5-dihydroxystyryl)-6,8,9a-trihydroxy-1-(3,4,5-trihydroxyphenyl)-1,4,4a,9a-tetrahydrofluoren-9-one|syagrusin A
1,4,8-trihydroxynaphthalene 1-O-beta-D-[6-O-(3,4,5-trihydroxybenzoyl)]glucopyranoside
3,4,6-TRIMETHOXYISOFLAVONE-7-O-EC-D-GLUCOPYRANOSIDE
7-hydroxy-5-methoxy-3,4-methylenedioxyflavonol 7-O-beta-D-glucopyranoside
diosmentin-7-O-beta-D-glucuronopyranoside methyl ester|diosmetin 7-O-beta-D-glucuronide methyl ester
6,7-dihydroxy-3-methoxy-4,5-methylenedioxyisoflavone-6-O-beta-D-glucopyranoside
(R)-6-hydroxymellein 6-O-beta-D-[6-O-(4-methoxybenzoyl)]->6)glucopyranoside
nhatrangin B
D009676 - Noxae > D011042 - Poisons > D008235 - Lyngbya Toxins D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins
5,6,7-Trihydroxyflavone-7-O-β-D-glucuronopyranoside
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
Cys Cys Cys Tyr
Cys Cys Glu His
Cys Cys His Glu
Cys Cys Tyr Cys
Cys Glu Cys His
Cys Glu His Cys
Cys His Cys Glu
Cys His Glu Cys
Cys Tyr Cys Cys
Glu Cys Cys His
Glu Cys His Cys
Glu His Cys Cys
His Cys Cys Glu
His Cys Glu Cys
His Glu Cys Cys
Tyr Cys Cys Cys
6-Hydroxykaempferol 3,6-dimethyl ether 7-glucoside
Kaempferol 3-(6-acetylgalactoside)
Isoorientin 2''-acetate
4',5,6-Trimethylscutellarein 7-glucoside
Irisolidone 7-O-glucuronide
2-Acetylastragalin
A kaempferol O-glucoside that is the 2-acetyl derivative of astragalin (kaempferol 3-O-glucoside). Isolated from the aerial parts of Delphinium staphisagria, it exhibits trypanocidal activity.
(2-Trimethylsilylethyl)triphenylphosphonium Iodide
4-carbomethoxybenzyl triphenylphosphonium chloride
Urea,N-[4-[(2-amino-4,7-dimethyl-6-benzothiazolyl)oxy]phenyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]-
10-(2-BENZOTHIAZOLYL)-2,3,6,7-TETRAHYDRO-1,1,7,7-TETRAMETHYL-1H,5H,11H-(1)BENZOPYROPYRANO(6,7-8-I,J)QUINOLIZIN-11-ONE
triphenyl(3-phenylmethoxypropyl)phosphanium,bromide
BENZENESULFONAMIDE,-[2,4-DIFLUORO-3-[[5-(3-PYRIDINYL)-1H-PYRROLO[2,3-B]PYRIDIN-3-YL]CARBONYL]PHENYL]-
Poziotinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163952 - EGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor
XL-647
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor D000970 - Antineoplastic Agents
(3-methoxycarbonylphenyl)methyl-triphenylphosphanium,bromide
Calcium Gluceptate
A - Alimentary tract and metabolism > A12 - Mineral supplements > A12A - Calcium > A12AA - Calcium C78275 - Agent Affecting Blood or Body Fluid > C29730 - Electrolyte Replacement Agent
O-Formylcefamandole
A cephalosporin compound having (R)-O-formylmandelamido and N-methylthiotetrazole side groups. It is used (as the sodium salt) as a progrug for cefamandole. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
1,3,6-trihydroxy-2-hydroxymethyl-9,10-anthraquinone-3-O-(6-O-acetyl)-beta-D-glucopyranoside
A dihydroxyanthraquinone that is 9,10-anthraquinone substituted by hydroxy groups at positions 4 and 7, a hydroxymethyl group at position 3 and a 6-O-acetyl-beta-D-glucopyranosyloxy residue at position 2. It has been isolated from the roots of Rubia yunnanensis.
3-(4-Chlorophenyl)sulfonyl-2-imino-1-(2-phenylethyl)-5-dipyrido[1,2-d:3,4-f]pyrimidinone
5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide
(3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine
N-(1-Cyanocyclopropyl)-3-({[(2S)-5-oxopyrrolidin-2-YL]methyl}sulfonyl)-N~2~-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-L-alaninamide
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-phenylphenyl)benzamide
6-Bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[[(4-methylphenyl)thio]methyl]-3-indolecarboxylic acid ethyl ester
N-[6-[(2,6-difluorophenyl)sulfonylamino]hexyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide
3-amino-4-(1,3-benzothiazol-2-yl)-N-(3-chloro-2-methylphenyl)-5-phenylimino-2H-thiophene-2-carboxamide
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
1-(4-Bromophenyl)-2-[3-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]ethanone
N-(3-chlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-methyl-2-benzofurancarboxamide
N-(2-chlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-methyl-2-benzofurancarboxamide
5-(Diethylsulfamoyl)-2-hydroxybenzoic acid [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] ester
4-chloro-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-(2-oxolanylmethyl)benzenesulfonamide
6-Methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester
2-[4-((1R,2R,6S,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-4-yl)-benzoylamino]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester
3,4,5-Trihydroxy-6-[[2-(3-hydroxyphenyl)-5-methoxy-6,8-dimethyl-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxane-2-carboxylic acid
7-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one
(2S,3S,4S,5R)-6-[(4-aminophenyl)sulfonyl-(2-phenylpyrazol-3-yl)amino]-3,4,5-trihydroxyoxane-2-carboxylic acid
[(2R,3S,4S)-5-(5-hydroperoxy-7,8-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate
7-[(2S,3S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxoanthracene-2-carboxylic acid
carminate(2-)
A monocarboxylic acid anion obtained from the deprotonation of the 3-hydroxy and 7-carboxy groups of carminic acid. Major species at pH 7.3.
21-hydroxypregnenolone disulfate(2-)
A 21-hydroxypregnenolone disulfate anion obtained by deprotonation of both sulfate groups of 21-hydroxypregnenolone disulfate.
(2s,3r,4r,5s,6s)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl acetate
(2r,10s,11r,20r)-7,15,24,26-tetrahydroxyoctacyclo[19.7.1.1²,¹⁰.0²,²⁰.0³,⁸.0¹¹,²⁰.0¹⁴,¹⁹.0²⁵,²⁹]triaconta-1(28),3,5,7,14,16,18,21(29),22,24,26-undecaene-9,13,30-trione
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[(3r)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-6-yl]oxy}oxan-2-yl]methyl 4-methoxybenzoate
3-(3,4-dimethoxyphenyl)-6-methoxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-(2,4,5-trimethoxyphenyl)chromen-4-one
4,11-dimethyl-18-(sec-butyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),7,9,12(23),16,19(22)-octaene-2,9,16-triol
(2s,3s,4r,7r)-7-(2-bromo-5-hydroxyphenyl)-3-{[(3s,4s)-3,4-dihydroxypentanoyl]oxy}-7-methoxy-2,4-dimethylheptanoic acid
methyl (2s,3s,4s,5r,6s)-6-{[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylate
6-[2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-oxo-2h,3h-furo[3,2-c]pyran-3-yl]-4-hydroxypyran-2-one
(8'r,12r)-4-hydroxy-8'-methoxy-2,4',7',10-tetraoxaspiro[tricyclo[12.2.2.1³,⁷]nonadecane-12,3'-tricyclo[7.3.0.0²,⁶]dodecan]-1(16),1'(9'),2'(6'),3(19),4,6,14,17-octaene-5',10',11-trione
3-{4,5-dihydroxy-2-[(1e)-2-(4-hydroxy-6-oxopyran-2-yl)ethenyl]phenyl}-6-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxypyran-2-one
(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxane-2-carboxylic acid
6-[(3r)-9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3h,4h-naphtho[2,3-c]pyran-8-yl]-5-hydroxy-7-methoxy-2-methylnaphthalene-1,4-dione
7-hydroxy-2-(7-methoxy-2h-1,3-benzodioxol-5-yl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
[(2r,3s,4s,5r,6s)-6-{[4-(3,4-dihydroxyphenyl)-7-hydroxy-2-oxochromen-5-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
12-methoxy-13-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5,10,17-tetraoxapentacyclo[9.6.2.0²,⁶.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-1(18),2(6),7,11(19),12,14-hexaene-9,16-dione
ethyl 6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylate
4-hydroxy-3-[3-(4-hydroxyphenyl)prop-2-enoyl]-2-methoxy-5-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzaldehyde
(1s,4s,7s,8r,9r,10s,11r,14r)-8-(acetyloxy)-7-[(5s)-5-hydroxy-2-oxo-5h-furan-3-yl]-9-methyl-5,15-dioxo-6,16-dioxatetracyclo[8.7.0.0¹,¹⁴.0⁴,⁹]heptadec-12-en-11-yl acetate
2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-3-{[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one
2''-o-acetylquercitrin
{"Ingredient_id": "HBIN006179","Ingredient_name": "2''-o-acetylquercitrin","Alias": "NA","Ingredient_formula": "C23H22O12","Ingredient_Smile": "CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)OC(=O)C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "491","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-(4''-o-acetyl-α-rhamnopyranosyl)ellagicacid
{"Ingredient_id": "HBIN009969","Ingredient_name": "4-(4''-o-acetyl-\u03b1-rhamnopyranosyl)ellagicacid","Alias": "NA","Ingredient_formula": "C22H18O13","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "492","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bisindigotin
{"Ingredient_id": "HBIN018623","Ingredient_name": "bisindigotin","Alias": "NA","Ingredient_formula": "C32H18N4O2","Ingredient_Smile": "C1=CC=C2C(=C1)C(=C(N2)C3=NC4=CC=CC=C4C3=O)C5=C6C=CC=CC6=NC5=C7C(=O)C8=CC=CC=C8N7","Ingredient_weight": "490.5 g/mol","OB_score": "41.65719277","CAS_id": "NA","SymMap_id": "SMIT12047","TCMID_id": "NA","TCMSP_id": "MOL011100","TCM_ID_id": "NA","PubChem_id": "136861641","DrugBank_id": "NA"}