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CHEBI:196060 - Linalyl hexanoate

ChEBI IDCHEBI:196060
ChEBI NameLinalyl hexanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H28O2
Net Charge0
Average Mass252.398
Monoisotopic Mass252.20893
SMILESC=CC(C)(CCC=C(C)C)OC(=O)CCCCC
InChIInChI=1S/C16H28O2/c1-6-8-9-12-15(17)18-16(5,7-2)13-10-11-14(3)4/h7,11H,2,6,8-10,12-13H2,1,3-5H3
InChIKeyALKCLFLTXBBMMP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Linalyl hexanoate (CHEBI:196060) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
3,7-dimethylocta-1,6-dien-3-yl hexanoate
Manual XrefsDatabases
HMDB0030429HMDB
490773ChemSpider