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ChEBI
> Main
CHEBI:86958 - vanillyl β-
D
-glucopyranoside
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ChEBI Ontology
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ChEBI Name
vanillyl β-
D
-glucopyranoside
ChEBI ID
CHEBI:86958
ChEBI ASCII Name
vanillyl beta-D-glucopyranoside
Definition
A monosaccharide derivative that is vanillyl alcohol attached to a β-
D
-glucopyranosyl residue at position 1.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C14H20O8
Net Charge
0
Average Mass
316.30380
Monoisotopic Mass
316.11582
InChI
InChI=1S/C14H20O8/c1-
20-
9-
4-
7(2-
3-
8(9)
16)
6-
21-
14-
13(19)
12(18)
11(17)
10(5-
15)
22-
14/h2-
4,10-
19H,5-
6H2,1H3/t10-
,11-
,12+,13-
,14-
/m1/s1
InChIKey
XNUBWLDOGBNCKT-RKQHYHRCSA-N
SMILES
COc1cc(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O
ChEBI Ontology
Outgoing
vanillyl β-
D
-glucopyranoside (
CHEBI:86958
)
has functional parent
vanillyl alcohol (
CHEBI:18353
)
vanillyl β-
D
-glucopyranoside (
CHEBI:86958
)
is a
β-
D
-glucoside (
CHEBI:22798
)
vanillyl β-
D
-glucopyranoside (
CHEBI:86958
)
is a
guaiacols (
CHEBI:134251
)
vanillyl β-
D
-glucopyranoside (
CHEBI:86958
)
is a
monosaccharide derivative (
CHEBI:63367
)
IUPAC Name
(4-hydroxy-3-methoxyphenyl)methyl β-
D
-glucopyranoside
Last Modified
01 June 2023