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CHEBI:229571 - 3''-oxopuerarin(1−)

ChEBI IDCHEBI:229571
ChEBI Name3''-oxopuerarin(1−)
Stars
ASCII Name3''-oxopuerarin(1-)
DefinitionMajor microspecies at pH 7.3
SubmitterAnne Morgat
DownloadsMolfile
FormulaC21H17O9
Net Charge-1
Average Mass413.358
Monoisotopic Mass413.08781
SMILESO=C1[C@@H](O)[C@H](c2c([O-])ccc3c(=O)c(-c4ccc(O)cc4)coc23)O[C@H](CO)[C@H]1O
InChIInChI=1S/C21H18O9/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/h1-6,8,14,17,19,21-24,26,28H,7H2/p-1/t14-,17-,19-,21+/m1/s1
InChIKeyLLPCWHBATNIIFS-QTRJSKNGSA-M
ChEBI Ontology
Outgoing Relation(s)
3''-oxopuerarin(1−) (CHEBI:229571) has functional parent puerarin(1−) (CHEBI:229573)
3''-oxopuerarin(1−) (CHEBI:229571) is a phenolate anion (CHEBI:50525)
Synonyms  Source
3''-oxo-puerarinSUBMITTER
3'-dehydropuerarinSUBMITTER
3''-oxopuerarinSUBMITTER
UniProt Name  Source
3''-dehydropuerarinUniProt
Manual XrefsDatabases
CPD-25753MetaCyc
C22561KEGG COMPOUND
Citations