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CHEBI:17396 - (R)-prunasin

ChEBI IDCHEBI:17396
ChEBI Name(R)-prunasin
Stars
ASCII Name(R)-prunasin
Secondary ChEBI IDsCHEBI:353, CHEBI:11011, CHEBI:18706, CHEBI:36463
Last Modified23 July 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC14H17NO6
Net Charge0
Average Mass295.291
Monoisotopic Mass295.10559
SMILESN#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1
InChIInChI=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
InChIKeyZKSZEJFBGODIJW-GMDXDWKASA-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)
(R)-prunasin (CHEBI:17396) is a prunasin (CHEBI:25150)
Incoming Relation(s)
(R)-4-hydroxymandelonitrile β-D-glucoside (CHEBI:16267) has functional parent (R)-prunasin (CHEBI:17396)
IUPAC Name 
(2R)-(β-D-glucopyranosyloxy)(phenyl)acetonitrile
Synonyms  Source
(R)-PrunasinKEGG COMPOUND
(R)-α-(β-D-glucopyranosyloxy)benzene-acetonitrileChemIDplus
(R)-mandelonitrile β-D-glucopyranosideChEBI
(R)-mandelonitrile β-D-glucosideChEBI
prunasinChemIDplus
D-prunasinChemIDplus
UniProt Name  Source
(R)-prunasinUniProt
Manual XrefsDatabases
C00844KEGG COMPOUND
Registry NumbersSources
Beilstein:91509Beilstein
CAS:99-18-3KEGG COMPOUND
CAS:99-18-3ChemIDplus