CHEBI:229564 - 3''-oxoorientin(1−)

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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''-oxoorientin(1−)
ChEBI ID CHEBI:229564
ChEBI ASCII Name 3''-oxoorientin(1-)
Definition Major microspecies at pH 7.3
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C21H17O11
Net Charge -1
Average Mass 445.357
Monoisotopic Mass 445.07763
InChI InChI=1S/C21H18O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17,19,21-26,28,30H,6H2/p-1/t14-,17-,19-,21+/m1/s1
InChIKey PSJJCBOFYLERKW-QTRJSKNGSA-M
SMILES C=12C(=C(C=C(C1C(C=C(O2)C3=CC=C(C(=C3)O)O)=O)O)[O-])[C@H]4[C@@H](C([C@@H]([C@H](O4)CO)O)=O)O
ChEBI Ontology
Outgoing 3''-oxoorientin(1−) (CHEBI:229564) has functional parent orientin (CHEBI:7781)
3''-oxoorientin(1−) (CHEBI:229564) is a C-glycosyl compound (CHEBI:20857)
3''-oxoorientin(1−) (CHEBI:229564) is a tetrahydroxyflavone (CHEBI:38684)
Synonyms Sources
3''-dehydroorientin UniProt
3''-oxo-orientin SUBMITTER
Citation Waiting for Citations Type Source
34728636 PubMed citation SUBMITTER