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CHEBI:171782 - Linalyl butyrate

ChEBI IDCHEBI:171782
ChEBI NameLinalyl butyrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H24O2
Net Charge0
Average Mass224.344
Monoisotopic Mass224.17763
SMILESC=CC(C)(CCC=C(C)C)OC(=O)CCC
InChIInChI=1S/C14H24O2/c1-6-9-13(15)16-14(5,7-2)11-8-10-12(3)4/h7,10H,2,6,8-9,11H2,1,3-5H3
InChIKeyFHLGUOHLUFIAAA-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)
Linalyl butyrate (CHEBI:171782) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
3,7-dimethylocta-1,6-dien-3-yl butanoate
Manual XrefsDatabases
HMDB0030427HMDB
56116ChemSpider
Registry NumbersSources
CAS:78-36-4ChemIDplus