CHEBI:179373 - Heptyl butyrate

ChEBI IDCHEBI:179373
ChEBI NameHeptyl butyrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H22O2
Net Charge0
Average Mass186.295
Monoisotopic Mass186.16198
SMILESCCCCCCCOC(=O)CCC
InChIInChI=1S/C11H22O2/c1-3-5-6-7-8-10-13-11(12)9-4-2/h3-10H2,1-2H3
InChIKeyJPQHLIYIQARLQM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Heptyl butyrate (CHEBI:179373) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
heptyl butanoate
Manual XrefsDatabases
56351ChemSpider
HMDB0034460HMDB
LMFA07010595LIPID MAPS
Registry NumbersSources
CAS:5870-93-9ChemIDplus