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CHEBI:9416 - (+)-taxifolin 3-O-acetate

ChEBI IDCHEBI:9416
ChEBI Name(+)-taxifolin 3-O-acetate
Stars
ASCII Name(+)-taxifolin 3-O-acetate
DefinitionAn acetate ester obtained by formal condensation between the 3-hydroxy group of (+)-taxifolin and acetic acid.
Last Modified6 April 2018
DownloadsMolfile
FormulaC17H14O8
Net Charge0
Average Mass346.291
Monoisotopic Mass346.06887
SMILESCC(=O)O[C@H]1C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
InChIInChI=1S/C17H14O8/c1-7(18)24-17-15(23)14-12(22)5-9(19)6-13(14)25-16(17)8-2-3-10(20)11(21)4-8/h2-6,16-17,19-22H,1H3/t16-,17+/m1/s1
InChIKeyNPWRSXJQDKRXOR-SJORKVTESA-N
ChEBI Ontology
Outgoing Relation(s)
(+)-taxifolin 3-O-acetate (CHEBI:9416) has functional parent (+)-taxifolin (CHEBI:17948)
(+)-taxifolin 3-O-acetate (CHEBI:9416) is a 3'-hydroxyflavanones (CHEBI:48024)
(+)-taxifolin 3-O-acetate (CHEBI:9416) is a 4'-hydroxyflavanones (CHEBI:140331)
(+)-taxifolin 3-O-acetate (CHEBI:9416) is a acetate ester (CHEBI:47622)
(+)-taxifolin 3-O-acetate (CHEBI:9416) is a tetrahydroxyflavanone (CHEBI:38742)
IUPAC Name 
(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl acetate
Synonyms  Source
Taxifolin 3-O-acetateKEGG COMPOUND
3β-acetoxyeriodictyolChEBI
3-O-acetyltaxifolinChEBI
dihydroquercetin 3-acetateChEBI
(2R,3R)-dihydroquercetin 3-acetateChEBI
(2R,3R)-taxifolin-3-acetateChEBI
Manual XrefsDatabases
C09967KEGG COMPOUND
C00008743KNApSAcK
Registry NumbersSources
Reaxys:4209835Reaxys
CAS:78834-97-6KEGG COMPOUND