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ChEBI
> Main
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.
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This entity has been manually annotated by the ChEBI Team.
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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
(1
S
)-
1,5-
anhydro-
1-
[3-
(4-
hydroxyphenyl)-
4-
oxo-
7-
(α-
D
-
xylopyranosyloxy)-
4
H
-
1-
benzopyran-
8-
yl]-
D
-
glucitol
Manual Xref
Database
C17057
KEGG COMPOUND
View more database links
Last Modified
25 June 2015