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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:10018 - volkenin
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ChEBI Name
volkenin
ChEBI ID
CHEBI:10018
Definition
A cyanogenic glycoside that is (4
R
)-4-hydroxycyclopent-2-ene-1-carbonitrile attached to a β-
D
-glucopyranosyloxy at position 1.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C12H17NO7
Net Charge
0
Average Mass
287.26590
Monoisotopic Mass
287.10050
InChI
InChI=1S/C12H17NO7/c13-
5-
12(2-
1-
6(15)
3-
12)
20-
11-
10(18)
9(17)
8(16)
7(4-
14)
19-
11/h1-
2,6-
11,14-
18H,3-
4H2/t6-
,7+,8+,9-
,10+,11-
,12-
/m0/s1
InChIKey
JRCWYCAEAZEYNW-WTMYBKBASA-N
SMILES
OC[C@H]1O[C@@H](O[C@@]2(C[C@@H](O)C=C2)C#N)[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
volkenin (
CHEBI:10018
)
is a
β-
D
-glucoside (
CHEBI:22798
)
volkenin (
CHEBI:10018
)
is a
aliphatic nitrile (
CHEBI:80291
)
volkenin (
CHEBI:10018
)
is a
cyanogenic glycoside (
CHEBI:23436
)
volkenin (
CHEBI:10018
)
is a
monosaccharide derivative (
CHEBI:63367
)
IUPAC Name
(1
R
,4
R
)-
1-
(β-
D
-
glucopyranosyloxy)-
4-
hydroxycyclopent-
2-
ene-
1-
carbonitrile
Manual Xrefs
Databases
C00001459
KNApSAcK
C08344
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
4703787
Reaxys Registry Number
Reaxys
66575-40-4
CAS Registry Number
KEGG COMPOUND
66575-40-4
CAS Registry Number
ChemIDplus
Citation
Type
Source
11152950
PubMed citation
Europe PMC
Last Modified
01 May 2015