CHEBI:80896 - puerarin xyloside

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ChEBI Name puerarin xyloside
ChEBI ID CHEBI:80896
Definition A hydroxyisoflavone that is puerarin substituted by an α-D-xylopyranosyl residue at position 7 via a glycosidic linkage.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H28O13
Net Charge 0
Average Mass 548.49270
Monoisotopic Mass 548.15299
InChI InChI=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
InChIKey NAAXIGQVODQJOV-PXYOAQHISA-N
SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc2c1occ(-c1ccc(O)cc1)c2=O
ChEBI Ontology
Outgoing 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 Xref Database
C17057 KEGG COMPOUND
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Last Modified
25 June 2015