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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
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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)
amygdalin (CHEBI:27613) has functional parent prunasin (CHEBI:25150)
amygdalin (CHEBI:27613) has role plant metabolite (CHEBI:76924)
amygdalin (CHEBI:27613) is a cyanogenic glycoside (CHEBI:23436)
amygdalin (CHEBI:27613) is a disaccharide derivative (CHEBI:63353)
amygdalin (CHEBI:27613) is a gentiobioside (CHEBI:24215)
Incoming Relation(s)
(R)-amygdalin (CHEBI:17019) is a amygdalin (CHEBI:27613)
IUPAC Name 
[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy](phenyl)acetonitrile
Synonyms  Source
mandelonitrile-β-gentiobiosideChEBI
amygdalosideChEBI