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CHEBI:174805 - (S)-2-Hydroxy-2-phenylacetonitrile O-b-D-allopyranoside

ChEBI IDCHEBI:174805
ChEBI Name(S)-2-Hydroxy-2-phenylacetonitrile O-b-D-allopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H17NO6
Net Charge0
Average Mass295.291
Monoisotopic Mass295.10559
SMILESN#CC(OC1OC(CO)C(O)C(O)C1O)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
InChIKeyZKSZEJFBGODIJW-UHFFFAOYSA-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)
(S)-2-Hydroxy-2-phenylacetonitrile O-b-D-allopyranoside (CHEBI:174805) is a cyanogenic glycoside (CHEBI:23436)
IUPAC Name 
2-phenyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile
Manual XrefsDatabases
HMDB0039961HMDB
500824ChemSpider