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CHEBI:80896 - puerarin xyloside

ChEBI IDCHEBI:80896
ChEBI Namepuerarin xyloside
Stars
DefinitionA hydroxyisoflavone that is puerarin substituted by an α-D-xylopyranosyl residue at position 7 via a glycosidic linkage.
Last Modified25 June 2015
DownloadsMolfile
FormulaC26H28O13
Net Charge0
Average Mass548.497
Monoisotopic Mass548.15299
SMILESO=c1c(-c2ccc(O)cc2)coc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O[C@H]3OC[C@@H](O)[C@H](O)[C@H]3O)ccc12
InChIInChI=1S/C26H28O13/c27-7-16-20(32)21(33)22(34)25(38-16)17-15(39-26-23(35)19(31)14(29)9-37-26)6-5-12-18(30)13(8-36-24(12)17)10-1-3-11(28)4-2-10/h1-6,8,14,16,19-23,25-29,31-35H,7,9H2/t14-,16-,19+,20-,21+,22-,23-,25+,26-/m1/s1
InChIKeyNAAXIGQVODQJOV-PXYOAQHISA-N
ChEBI Ontology
Outgoing Relation(s)
puerarin xyloside (CHEBI:80896) has functional parent puerarin (CHEBI:8633)
puerarin xyloside (CHEBI:80896) is a C-glycosyl compound (CHEBI:20857)
puerarin xyloside (CHEBI:80896) is a glycosyloxyisoflavone (CHEBI:74630)
puerarin xyloside (CHEBI:80896) is a hydroxyisoflavone (CHEBI:38755)
IUPAC Name 
(1S)-1,5-anhydro-1-[3-(4-hydroxyphenyl)-4-oxo-7-(α-D-xylopyranosyloxy)-4H-1-benzopyran-8-yl]-D-glucitol
Manual XrefsDatabases
C17057KEGG COMPOUND