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CHEBI:169568 - 1-Ethenylhexyl butanoate

ChEBI IDCHEBI:169568
ChEBI Name1-Ethenylhexyl butanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H22O2
Net Charge0
Average Mass198.306
Monoisotopic Mass198.16198
SMILESC=CC(CCCCC)OC(=O)CCC
InChIInChI=1S/C12H22O2/c1-4-7-8-10-11(6-3)14-12(13)9-5-2/h6,11H,3-5,7-10H2,1-2H3
InChIKeyLZWFXVJBIZIHCH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
1-Ethenylhexyl butanoate (CHEBI:169568) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
oct-1-en-3-yl butanoate
Manual XrefsDatabases
25950ChemSpider
HMDB0037498HMDB
LMFA07010710LIPID MAPS
Registry NumbersSources
CAS:16491-54-6ChemIDplus