CHEBI:175966 - 3,5-Dihydroxy-3',4'-dimethoxy-6,7-methylenedioxyflavone 3-glucuronide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3,5-Dihydroxy-3',4'-dimethoxy-6,7-methylenedioxyflavone 3-glucuronide
ChEBI ID CHEBI:175966
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H22O14
Net Charge 0
Average Mass 534.426
Monoisotopic Mass 534.10096
InChI InChI=1S/C24H22O14/c1-32-9-4-3-8(5-10(9)33-2)19-21(37-24-18(29)16(27)17(28)22(38-24)23(30)31)15(26)13-11(36-19)6-12-20(14(13)25)35-7-34-12/h3-6,16-18,22,24-25,27-29H,7H2,1-2H3,(H,30,31)
InChIKey MRRDNEKQNDQHAF-UHFFFAOYSA-N
SMILES O1C(OC2=C(OC=3C(C2=O)=C(O)C=4OCOC4C3)C5=CC(OC)=C(OC)C=C5)C(O)C(O)C(O)C1C(O)=O
ChEBI Ontology
Outgoing 3,5-Dihydroxy-3',4'-dimethoxy-6,7-methylenedioxyflavone 3-glucuronide (CHEBI:175966) is a flavonoids (CHEBI:72544)
3,5-Dihydroxy-3',4'-dimethoxy-6,7-methylenedioxyflavone 3-glucuronide (CHEBI:175966) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name
6-[[6-(3,4-dimethoxyphenyl)-9-hydroxy-8-oxo-[1,3]dioxolo[4,5-g]chromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xref Database
HMDB0038266 HMDB
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