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CHEBI:171867 - Citronellyl isobutyrate

ChEBI IDCHEBI:171867
ChEBI NameCitronellyl isobutyrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H26O2
Net Charge0
Average Mass226.360
Monoisotopic Mass226.19328
SMILESCC(C)=CCCC(C)CCOC(=O)C(C)C
InChIInChI=1S/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,12-13H,6,8-10H2,1-5H3
InChIKeyZGPPERKMXSGYRK-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 isobutyrate (CHEBI:171867) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
3,7-dimethyloct-6-enyl 2-methylpropanoate
Manual XrefsDatabases
54946ChemSpider
HMDB0037228HMDB
LMFA07010817LIPID MAPS
Registry NumbersSources
CAS:97-89-2ChemIDplus