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CHEBI:171851 - Citronellyl pentanoate

ChEBI IDCHEBI:171851
ChEBI NameCitronellyl pentanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H28O2
Net Charge0
Average Mass240.387
Monoisotopic Mass240.20893
SMILESCCCCC(=O)OCCC(C)CCC=C(C)C
InChIInChI=1S/C15H28O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,14H,5-7,9-12H2,1-4H3
InChIKeyPFOJEJPZUVQHEH-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 pentanoate (CHEBI:171851) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
3,7-dimethyloct-6-enyl pentanoate
Manual XrefsDatabases
55342ChemSpider
HMDB0037229HMDB
LMFA07010819LIPID MAPS
Registry NumbersSources
CAS:7540-53-6ChemIDplus