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CHEBI:167959 - 2-Propenyl cyclohexanebutanoate

ChEBI IDCHEBI:167959
ChEBI Name2-Propenyl cyclohexanebutanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H22O2
Net Charge0
Average Mass210.317
Monoisotopic Mass210.16198
SMILESC=CCOC(=O)CCCC1CCCCC1
InChIInChI=1S/C13H22O2/c1-2-11-15-13(14)10-6-9-12-7-4-3-5-8-12/h2,12H,1,3-11H2
InChIKeySIIAEMSHVLJRHI-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)
2-Propenyl cyclohexanebutanoate (CHEBI:167959) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
prop-2-enyl 4-cyclohexylbutanoate
Manual XrefsDatabases
55334ChemSpider
HMDB0038291HMDB
LMFA07010743LIPID MAPS
Registry NumbersSources
CAS:7493-65-4ChemIDplus