EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:180303 - 2S,4R-Dimethyl-5S-hexanolide

ChEBI IDCHEBI:180303
ChEBI Name2S,4R-Dimethyl-5S-hexanolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H14O2
Net Charge0
Average Mass142.198
Monoisotopic Mass142.09938
SMILESC[C@@H]1C[C@H](C)C(=O)O[C@H]1C
InChIInChI=1S/C8H14O2/c1-5-4-6(2)8(9)10-7(5)3/h5-7H,4H2,1-3H3/t5-,6+,7+/m1/s1
InChIKeyVKOQCQOCLWZTTK-VQVTYTSYSA-N
ChEBI Ontology
Outgoing Relation(s)
2S,4R-Dimethyl-5S-hexanolide (CHEBI:180303) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(3S,5R,6S)-3,5,6-trimethyloxan-2-one
Manual XrefsDatabases
LMFA07040009LIPID MAPS
9063287ChemSpider