CHEBI:167917 - 4-Methyl-5-hexanolide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4-Methyl-5-hexanolide
ChEBI ID CHEBI:167917
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C7H12O2
Net Charge 0
Average Mass 128.171
Monoisotopic Mass 128.08373
InChI InChI=1S/C7H12O2/c1-5-3-4-7(8)9-6(5)2/h5-6H,3-4H2,1-2H3
InChIKey HAXARIVGMMVELD-UHFFFAOYSA-N
SMILES O1C(C(CCC1=O)C)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 4-Methyl-5-hexanolide (CHEBI:167917) is a δ-lactone (CHEBI:18946)
IUPAC Name
5,6-dimethyloxan-2-one
Manual Xrefs Databases
474046 ChemSpider
HMDB0031174 HMDB
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Registry Number Type Source
10413-18-0 CAS Registry Number ChemIDplus