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CHEBI:169267 - 3',4',5-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide

ChEBI IDCHEBI:169267
ChEBI Name3',4',5-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H20O14
Net Charge0
Average Mass520.399
Monoisotopic Mass520.08531
SMILESCOc1c(-c2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)c(O)c2)oc2cc3c(c(O)c2c1=O)OCO3
InChIInChI=1S/C23H20O14/c1-32-20-14(26)12-10(5-11-19(13(12)25)34-6-33-11)35-18(20)7-2-3-9(8(24)4-7)36-23-17(29)15(27)16(28)21(37-23)22(30)31/h2-5,15-17,21,23-25,27-29H,6H2,1H3,(H,30,31)
InChIKeyCHIQYVBCRPLTQS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
3',4',5-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide (CHEBI:169267) is a flavonoids (CHEBI:72544)
3',4',5-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide (CHEBI:169267) is a β-D-glucosiduronic acid (CHEBI:15341)
IUPAC Name 
3,4,5-trihydroxy-6-[2-hydroxy-4-(9-hydroxy-7-methoxy-8-oxo-[1,3]dioxolo[4,5-g]chromen-6-yl)phenoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0037757HMDB