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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:17396 - (
R
)-prunasin
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ChEBI Name
(
R
)-prunasin
ChEBI ID
CHEBI:17396
ChEBI ASCII Name
(R)-prunasin
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:36463, CHEBI:11011, CHEBI:353, CHEBI:18706
Supplier Information
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Formula
C14H17NO6
Net Charge
0
Average Mass
295.28792
Monoisotopic Mass
295.10559
InChI
InChI=1S/C14H17NO6/c15-
6-
9(8-
4-
2-
1-
3-
5-
8)
20-
14-
13(19)
12(18)
11(17)
10(7-
16)
21-
14/h1-
5,9-
14,16-
19H,7H2/t9-
,10+,11+,12-
,13+,14+/m0/s1
InChIKey
ZKSZEJFBGODIJW-GMDXDWKASA-N
SMILES
OC[C@H]1O[C@@H](O[C@@H](C#N)c2ccccc2)[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.
(via
cyanogenic glycoside
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(
R
)-prunasin (
CHEBI:17396
)
is a
prunasin (
CHEBI:25150
)
Incoming
(
R
)-4-hydroxymandelonitrile β-
D
-glucoside (
CHEBI:16267
)
has functional parent
(
R
)-prunasin (
CHEBI:17396
)
IUPAC Name
(2
R
)-(β-
D
-glucopyranosyloxy)(phenyl)acetonitrile
Synonyms
Sources
(
R
)-(β-
D
-glucopyranosyloxy)phenylacetonitrile
ChemIDplus
(
R
)-α-(β-
D
-glucopyranosyloxy)benzene-acetonitrile
ChemIDplus
(
R
)-mandelonitrile β-
D
-glucopyranoside
ChEBI
(
R
)-mandelonitrile β-
D
-glucoside
ChEBI
(R)-Prunasin
KEGG COMPOUND
(
R
)-prunasin
UniProt
D
-prunasin
ChemIDplus
prunasin
ChemIDplus
Manual Xref
Database
C00844
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
91509
Beilstein Registry Number
Beilstein
99-18-3
CAS Registry Number
ChemIDplus
Last Modified
23 July 2015