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CHEBI:27613 - amygdalin

ChEBI IDCHEBI:27613
ChEBI Nameamygdalin
Stars
Secondary ChEBI IDsCHEBI:2690, CHEBI:22537
Last Modified25 May 2016
DownloadsMolfile

FormulaC20H27NO11
Net Charge0
Average Mass457.432
Monoisotopic Mass457.15841
SMILESN#CC(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1
InChIInChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10?,11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1
InChIKeyXUCIJNAGGSZNQT-SWRVSKMJSA-N

Roles Classification

ChEBI Ontology
IUPAC Name 
[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy](phenyl)acetonitrile
Synonyms  Source
mandelonitrile-β-gentiobiosideChEBI
amygdalosideChEBI