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CHEBI:178160 - Mandelonitrile sophoroside

ChEBI IDCHEBI:178160
ChEBI NameMandelonitrile sophoroside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H27NO11
Net Charge0
Average Mass457.432
Monoisotopic Mass457.15841
SMILESN#CC(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)c1ccccc1
InChIInChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)29-20-18(16(27)14(25)12(8-23)31-20)32-19-17(28)15(26)13(24)11(7-22)30-19/h1-5,10-20,22-28H,7-8H2
InChIKeyYGHHWSRCTPQFFC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arisaema erubescens (ncbitaxon:228806) bulb (BTO:0000159) MetaboLights (MTBLS2858)
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)
Mandelonitrile sophoroside (CHEBI:178160) is a cyanogenic glycoside (CHEBI:23436)
IUPAC Name 
2-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-phenylacetonitrile
Manual XrefsDatabases
HMDB0038475HMDB