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CHEBI:167917 - 4-Methyl-5-hexanolide

ChEBI IDCHEBI:167917
ChEBI Name4-Methyl-5-hexanolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H12O2
Net Charge0
Average Mass128.171
Monoisotopic Mass128.08373
SMILESCC1CCC(=O)OC1C
InChIInChI=1S/C7H12O2/c1-5-3-4-7(8)9-6(5)2/h5-6H,3-4H2,1-2H3
InChIKeyHAXARIVGMMVELD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
4-Methyl-5-hexanolide (CHEBI:167917) is a δ-lactone (CHEBI:18946)
IUPAC Name 
5,6-dimethyloxan-2-one
Manual XrefsDatabases
HMDB0031174HMDB
474046ChemSpider
Registry NumbersSources
CAS:10413-18-0ChemIDplus