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CHEBI:25150 - prunasin

ChEBI IDCHEBI:25150
ChEBI Nameprunasin
Stars
Last Modified15 January 2021
DownloadsMolfile
FormulaC14H17NO6
Net Charge0
Average Mass295.291
Monoisotopic Mass295.10559
SMILESN#CC(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-/m1/s1
InChIKeyZKSZEJFBGODIJW-MXNNCRBYSA-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)
prunasin (CHEBI:25150) has functional parent mandelonitrile (CHEBI:16910)
prunasin (CHEBI:25150) is a cyanogenic glycoside (CHEBI:23436)
prunasin (CHEBI:25150) is a monosaccharide derivative (CHEBI:63367)
prunasin (CHEBI:25150) is a nitrile (CHEBI:18379)
prunasin (CHEBI:25150) is a β-D-glucoside (CHEBI:22798)
Incoming Relation(s)
amygdalin (CHEBI:27613) has functional parent prunasin (CHEBI:25150)
(R)-prunasin (CHEBI:17396) is a prunasin (CHEBI:25150)
(S)-prunasin (CHEBI:27761) is a prunasin (CHEBI:25150)
IUPAC Name 
(β-D-glucopyranosyloxy)(phenyl)acetonitrile
Synonyms  Source
mandelonitrile β-D-glucopyranosideChEBI
prunasinChemIDplus
mandelonitrile β-D-glucosideChEBI
α-(β-D-glucopyranosyloxy)benzeneacetonitrileChemIDplus
mandelonitrile glucosideChemIDplus
prulaurasinChemIDplus
Registry NumbersSources
Beilstein:9142960Beilstein
CAS:138-53-4ChemIDplus
Citations