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CHEBI:204086 - 5-butyl-6-(hydroxymethyl)-4-methoxy-2H-pyran-2-one

ChEBI IDCHEBI:204086
ChEBI Name5-butyl-6-(hydroxymethyl)-4-methoxy-2H-pyran-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H16O4
Net Charge0
Average Mass212.245
Monoisotopic Mass212.10486
SMILESCCCCc1c(OC)cc(=O)oc1CO
InChIInChI=1S/C11H16O4/c1-3-4-5-8-9(14-2)6-11(13)15-10(8)7-12/h6,12H,3-5,7H2,1-2H3
InChIKeyCECRFCGIVHHWSF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Alternaria phragmospora (ncbitaxon:570713) - PubMed (27708462)
ChEBI Ontology
Outgoing Relation(s)
5-butyl-6-(hydroxymethyl)-4-methoxy-2H-pyran-2-one (CHEBI:204086) is a pyranone (CHEBI:37963)
IUPAC Name 
5-butyl-6-(hydroxymethyl)-4-methoxypyran-2-one
Manual XrefsDatabases
67893417ChemSpider