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CHEBI:172310 - 2-Carboxy-5,7-dimethyl-4-octanolide

ChEBI IDCHEBI:172310
ChEBI Name2-Carboxy-5,7-dimethyl-4-octanolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18O4
Net Charge0
Average Mass214.261
Monoisotopic Mass214.12051
SMILESCC(C)CC(C)C1CC(C(=O)O)C(=O)O1
InChIInChI=1S/C11H18O4/c1-6(2)4-7(3)9-5-8(10(12)13)11(14)15-9/h6-9H,4-5H2,1-3H3,(H,12,13)
InChIKeyFEFSWWMYJINUMK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
2-Carboxy-5,7-dimethyl-4-octanolide (CHEBI:172310) is a γ-lactone (CHEBI:37581)
IUPAC Name 
5-(4-methylpentan-2-yl)-2-oxooxolane-3-carboxylic acid
Manual XrefsDatabases
HMDB0030986HMDB
35013297ChemSpider