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CHEBI:229013 - 4',6''-Diacetyl puerarin

ChEBI IDCHEBI:229013
ChEBI Name4',6''-Diacetyl puerarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26O11
Net Charge0
Average Mass502.472
Monoisotopic Mass502.14751
SMILES[H][C@]1(c2c(O)ccc3c2OC(c2ccc(OC(C)=O)cc2)CC3=O)O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C25H26O11/c1-11(26)33-10-19-21(30)22(31)23(32)25(36-19)20-16(28)8-7-15-17(29)9-18(35-24(15)20)13-3-5-14(6-4-13)34-12(2)27/h3-8,18-19,21-23,25,28,30-32H,9-10H2,1-2H3/t18?,19-,21-,22+,23-,25-/m1/s1
InChIKeyBWDZHNODMVBAFZ-AYXSYUOHSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
4',6''-Diacetyl puerarin (CHEBI:229013) is a C-glycosyl compound (CHEBI:20857)
4',6''-Diacetyl puerarin (CHEBI:229013) is a flavonoids (CHEBI:72544)
IUPAC Name 
[(2R,3S,4R,5R,6R)-6-[2-(4-acetyloxyphenyl)-7-hydroxy-4-oxo-2,3-dihydrochromen-8-yl]-3,4,5-trihydroxyoxan-2-yl]methyl acetate