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CHEBI:85132 - glycitein 7-O-β-D-(2'',4'',6''-O-triacetyl)glucopyranoside

ChEBI IDCHEBI:85132
ChEBI Nameglycitein 7-O-β-D-(2'',4'',6''-O-triacetyl)glucopyranoside
Stars
ASCII Nameglycitein 7-O-beta-D-(2'',4'',6''-O-triacetyl)glucopyranoside
DefinitionA glycosyloxyisoflavone that is the 2'',4'',6''-O-triacetyl- derivative of glycitin.
Last Modified6 March 2015
Submitternamrata
DownloadsMolfile
FormulaC28H28O13
Net Charge0
Average Mass572.519
Monoisotopic Mass572.15299
SMILESCOc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]1OC(C)=O
InChIInChI=1S/C28H28O13/c1-13(29)36-12-23-26(38-14(2)30)25(34)27(39-15(3)31)28(41-23)40-22-10-20-18(9-21(22)35-4)24(33)19(11-37-20)16-5-7-17(32)8-6-16/h5-11,23,25-28,32,34H,12H2,1-4H3/t23-,25+,26-,27-,28-/m1/s1
InChIKeyAAOWDCXVOOKARC-BYUBTRPSSA-N
Species of MetaboliteComponentSourceComments
Centella asiatica (ncbitaxon:48106) - MetaboLights (MTBLS175)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
glycitein 7-O-β-D-(2'',4'',6''-O-triacetyl)glucopyranoside (CHEBI:85132) has functional parent glycitin (CHEBI:80373)
glycitein 7-O-β-D-(2'',4'',6''-O-triacetyl)glucopyranoside (CHEBI:85132) has role plant metabolite (CHEBI:76924)
glycitein 7-O-β-D-(2'',4'',6''-O-triacetyl)glucopyranoside (CHEBI:85132) is a acetate ester (CHEBI:47622)
glycitein 7-O-β-D-(2'',4'',6''-O-triacetyl)glucopyranoside (CHEBI:85132) is a glycosyloxyisoflavone (CHEBI:74630)
glycitein 7-O-β-D-(2'',4'',6''-O-triacetyl)glucopyranoside (CHEBI:85132) is a hydroxyisoflavone (CHEBI:38755)
glycitein 7-O-β-D-(2'',4'',6''-O-triacetyl)glucopyranoside (CHEBI:85132) is a methoxyisoflavone (CHEBI:38756)
glycitein 7-O-β-D-(2'',4'',6''-O-triacetyl)glucopyranoside (CHEBI:85132) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name 
3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl 2,4,6-tri-O-acetyl-β-D-glucopyranoside
Registry NumbersSources
Reaxys:8372851Reaxys