CHEBI:229562 - 3''-oxopuearin

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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''-oxopuearin
ChEBI ID CHEBI:229562
Definition A dihydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 7 and 4' and a 3-oxo-β-D-glucopyranosyl residue at position 8 via a C-glycosidic linkage.
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C21H20O9
Net Charge 0
Average Mass 416.382
Monoisotopic Mass 416.11073
InChI InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,11,14,17,19-24,26,28H,7H2/t11?,14-,17-,19-,20?,21+/m1/s1
InChIKey LPNCYJGWHXPMFT-JKLHSJGASA-N
SMILES C=1(C2C(C=CC1O)C(C(=CO2)C=3C=CC(=CC3)O)=O)[C@@H]4O[C@@H]([C@H](C([C@H]4O)=O)O)CO
ChEBI Ontology
Outgoing 3''-oxopuearin (CHEBI:229562) has functional parent puerarin (CHEBI:8633)
3''-oxopuearin (CHEBI:229562) is a C-glycosyl compound (CHEBI:20857)
3''-oxopuearin (CHEBI:229562) is a hydroxyisoflavone (CHEBI:38755)
Synonyms Sources
3''-dehydropuearin SUBMITTER
3''-oxo-puearin SUBMITTER
Manual Xref Database
CPD-25753 MetaCyc accession
View more database links
Citation Waiting for Citations Type Source
32385077 PubMed citation SUBMITTER