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CHEBI:229573 - puerarin(1−)

ChEBI IDCHEBI:229573
ChEBI Namepuerarin(1−)
Stars
ASCII Namepuerarin(1-)
DefinitionMajor microspecies at pH 7.3
SubmitterAnne Morgat
DownloadsMolfile
FormulaC21H19O9
Net Charge-1
Average Mass415.374
Monoisotopic Mass415.10346
SMILESO=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c([O-])ccc12
InChIInChI=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/h1-6,8,14,17-19,21-24,26-28H,7H2/p-1/t14-,17-,18+,19-,21+/m1/s1
InChIKeyHKEAFJYKMMKDOR-VPRICQMDSA-M
ChEBI Ontology
Outgoing Relation(s)
puerarin(1−) (CHEBI:229573) is a C-glycosyl compound (CHEBI:20857)
puerarin(1−) (CHEBI:229573) is a hydroxyflavone (CHEBI:24698)
puerarin(1−) (CHEBI:229573) is a phenolate anion (CHEBI:50525)
puerarin(1−) (CHEBI:229573) is conjugate base of puerarin (CHEBI:8633)
Incoming Relation(s)
3''-oxopuerarin(1−) (CHEBI:229571) has functional parent puerarin(1−) (CHEBI:229573)
puerarin (CHEBI:8633) is conjugate acid of puerarin(1−) (CHEBI:229573)
UniProt Name  Source
puerarinUniProt
Citations