EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:229564 - 3''-oxoorientin(1−)

ChEBI IDCHEBI:229564
ChEBI Name3''-oxoorientin(1−)
Stars
ASCII Name3''-oxoorientin(1-)
DefinitionMajor microspecies at pH 7.3
SubmitterAnne Morgat
DownloadsMolfile
FormulaC21H17O11
Net Charge-1
Average Mass445.356
Monoisotopic Mass445.07763
SMILESO=C1[C@@H](O)[C@H](c2c([O-])cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O[C@H](CO)[C@H]1O
InChIInChI=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
InChIKeyPSJJCBOFYLERKW-QTRJSKNGSA-M
ChEBI Ontology
Outgoing Relation(s)
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)
Synonym  Source
3''-oxo-orientinSUBMITTER
UniProt Name  Source
3''-dehydroorientinUniProt
Citations