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ChEBI
> Main
CHEBI:76157 -
cis
-astringin
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ChEBI Name
cis
-astringin
ChEBI ID
CHEBI:76157
ChEBI ASCII Name
cis-astringin
Definition
A stilbenoid that is
cis
-3,5,3',4'-tetrahydroxystilbene substituted at position 3 by a β-
D
-glucosyl residue.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C20H22O9
Net Charge
0
Average Mass
406.38330
Monoisotopic Mass
406.12638
InChI
InChI=1S/C20H22O9/c21-
9-
16-
17(25)
18(26)
19(27)
20(29-
16)
28-
13-
6-
11(5-
12(22)
8-
13)
2-
1-
10-
3-
4-
14(23)
15(24)
7-
10/h1-
8,16-
27H,9H2/b2-
1-
/t16-
,17-
,18+,19-
,20-
/m1/s1
InChIKey
PERPNFLGJXUDDW-BUFXCDORSA-N
SMILES
OC[C@H]1O[C@@H](Oc2cc(O)cc(\C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
cis
-astringin (
CHEBI:76157
)
has functional parent
cis
-3,5,3',4'-tetrahydroxystilbene (
CHEBI:76156
)
cis
-astringin (
CHEBI:76157
)
has role
metabolite (
CHEBI:25212
)
cis
-astringin (
CHEBI:76157
)
is a
β-
D
-glucoside (
CHEBI:22798
)
cis
-astringin (
CHEBI:76157
)
is a
monosaccharide derivative (
CHEBI:63367
)
cis
-astringin (
CHEBI:76157
)
is a
polyphenol (
CHEBI:26195
)
cis
-astringin (
CHEBI:76157
)
is a
stilbenoid (
CHEBI:26776
)
IUPAC Name
3-
[(
Z
)-
2-
(3,4-
dihydroxyphenyl)ethenyl]-
5-
hydroxyphenyl β-
D
-
glucopyranoside
Synonym
Source
(
Z
)-astringin
ChEBI
Registry Number
Type
Source
6577637
Reaxys Registry Number
Reaxys
Last Modified
05 December 2013