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CHEBI:10018 - volkenin

ChEBI IDCHEBI:10018
ChEBI Namevolkenin
Stars
DefinitionA cyanogenic glycoside that is (4R)-4-hydroxycyclopent-2-ene-1-carbonitrile attached to a β-D-glucopyranosyloxy at position 1.
Last Modified1 May 2015
DownloadsMolfile
FormulaC12H17NO7
Net Charge0
Average Mass287.268
Monoisotopic Mass287.10050
SMILESN#C[C@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C[C@H](O)C1
InChIInChI=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
InChIKeyJRCWYCAEAZEYNW-WTMYBKBASA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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)
volkenin (CHEBI:10018) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
(1R,4R)-1-(β-D-glucopyranosyloxy)-4-hydroxycyclopent-2-ene-1-carbonitrile
Manual XrefsDatabases
C00001459KNApSAcK
C08344KEGG COMPOUND
Registry NumbersSources
Reaxys:4703787Reaxys
CAS:66575-40-4KEGG COMPOUND
CAS:66575-40-4ChemIDplus
Citations