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CHEBI:171853 - Citronellyl isovalerate

ChEBI IDCHEBI:171853
ChEBI NameCitronellyl isovalerate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H28O2
Net Charge0
Average Mass240.387
Monoisotopic Mass240.20893
SMILESCC(C)=CCCC(C)CCOC(=O)CC(C)C
InChIInChI=1S/C15H28O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,13-14H,6,8-11H2,1-5H3
InChIKeyWZTNQQJXPYEGAF-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)
Citronellyl isovalerate (CHEBI:171853) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
3,7-dimethyloct-6-enyl 3-methylbutanoate
Manual XrefsDatabases
99993ChemSpider
HMDB0038954HMDB
LMFA07010818LIPID MAPS
Registry NumbersSources
CAS:68922-10-1ChemIDplus