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CHEBI:171871 - Citronellyl butyrate

ChEBI IDCHEBI:171871
ChEBI NameCitronellyl butyrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H26O2
Net Charge0
Average Mass226.360
Monoisotopic Mass226.19328
SMILESCCCC(=O)OCCC(C)CCC=C(C)C
InChIInChI=1S/C14H26O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,13H,5-7,9-11H2,1-4H3
InChIKeyXQPZQXTWYZAXAK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Citronellyl butyrate (CHEBI:171871) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
3,7-dimethyloct-6-enyl butanoate
Manual XrefsDatabases
8503ChemSpider
HMDB0037227HMDB
LMFA07010814LIPID MAPS
Registry NumbersSources
CAS:141-16-2ChemIDplus