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CHEBI:171774 - Neryl butyrate

ChEBI IDCHEBI:171774
ChEBI NameNeryl butyrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H24O2
Net Charge0
Average Mass224.344
Monoisotopic Mass224.17763
SMILESCCCC(=O)OC/C=C(/C)CCC=C(C)C
InChIInChI=1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10-
InChIKeyZSBOMYJPSRFZAL-RAXLEYEMSA-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)
Neryl butyrate (CHEBI:171774) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
[(2Z)-3,7-dimethylocta-2,6-dienyl] butanoate
Manual XrefsDatabases
4509113ChemSpider
HMDB0038259HMDB
LMFA07010626LIPID MAPS
Registry NumbersSources
CAS:999-40-6ChemIDplus