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CHEBI:190074 - Suprofen glucuronide

ChEBI IDCHEBI:190074
ChEBI NameSuprofen glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H19NO6
Net Charge0
Average Mass261.274
Monoisotopic Mass261.12124
SMILESCC(C)(CC#N)OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C11H19NO6/c1-11(2,3-4-12)18-10-9(16)8(15)7(14)6(5-13)17-10/h6-10,13-16H,3,5H2,1-2H3
InChIKeyGDSYPXWUHMRTHT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
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)
Suprofen glucuronide (CHEBI:190074) is a cyanogenic glycoside (CHEBI:23436)
IUPAC Name 
3-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile
Manual XrefsDatabases
HMDB0034777HMDB
112077ChemSpider