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CHEBI:172734 - 3,3',5,5'-Tetrahydroxy-6,7-methyleneoxy-4'-methoxyflavone 3-glucuronide

ChEBI IDCHEBI:172734
ChEBI Name3,3',5,5'-Tetrahydroxy-6,7-methyleneoxy-4'-methoxyflavone 3-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H20O15
Net Charge0
Average Mass536.398
Monoisotopic Mass536.08022
SMILESCOc1c(O)cc(-c2oc3cc4c(c(O)c3c(=O)c2OC2OC(C(=O)O)C(O)C(O)C2O)OCO4)cc1O
InChIInChI=1S/C23H20O15/c1-33-18-7(24)2-6(3-8(18)25)17-20(37-23-16(30)14(28)15(29)21(38-23)22(31)32)13(27)11-9(36-17)4-10-19(12(11)26)35-5-34-10/h2-4,14-16,21,23-26,28-30H,5H2,1H3,(H,31,32)
InChIKeyVJOUKMWDFSQKRA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
3,3',5,5'-Tetrahydroxy-6,7-methyleneoxy-4'-methoxyflavone 3-glucuronide (CHEBI:172734) is a flavonoids (CHEBI:72544)
3,3',5,5'-Tetrahydroxy-6,7-methyleneoxy-4'-methoxyflavone 3-glucuronide (CHEBI:172734) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
6-[[6-(3,5-dihydroxy-4-methoxyphenyl)-9-hydroxy-8-oxo-[1,3]dioxolo[4,5-g]chromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0038030HMDB