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CHEBI:179385 - Butyl heptanoate

ChEBI IDCHEBI:179385
ChEBI NameButyl heptanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H22O2
Net Charge0
Average Mass186.295
Monoisotopic Mass186.16198
SMILESCCCCCCC(=O)OCCCC
InChIInChI=1S/C11H22O2/c1-3-5-7-8-9-11(12)13-10-6-4-2/h3-10H2,1-2H3
InChIKeyYPQSPODHFDGVAC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Butyl heptanoate (CHEBI:179385) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
butyl heptanoate
Manual XrefsDatabases
20298ChemSpider
HMDB0041559HMDB
LMFA07010794LIPID MAPS
Registry NumbersSources
CAS:5454-28-4ChemIDplus