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CHEBI:78333 - 3,7-dimethylocta-1,6-dien-3-yl acetate

ChEBI IDCHEBI:78333
ChEBI Name3,7-dimethylocta-1,6-dien-3-yl acetate
Stars
DefinitionA monoterpenoid that is the acetate ester of linalool. It forms a principal component of the essential oils from bergamot and lavender.
Last Modified24 April 2014
Submitternamrata
DownloadsMolfile
FormulaC12H20O2
Net Charge0
Average Mass196.290
Monoisotopic Mass196.14633
SMILESC=CC(C)(CCC=C(C)C)OC(C)=O
InChIInChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3
InChIKeyUWKAYLJWKGQEPM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,7-dimethylocta-1,6-dien-3-yl acetate (CHEBI:78333) has functional parent linalool (CHEBI:17580)
3,7-dimethylocta-1,6-dien-3-yl acetate (CHEBI:78333) is a acetate ester (CHEBI:47622)
3,7-dimethylocta-1,6-dien-3-yl acetate (CHEBI:78333) is a monoterpenoid (CHEBI:25409)
Incoming Relation(s)
(R)-linalyl acetate (CHEBI:78334) is a 3,7-dimethylocta-1,6-dien-3-yl acetate (CHEBI:78333)
(S)-linalyl acetate (CHEBI:78335) is a 3,7-dimethylocta-1,6-dien-3-yl acetate (CHEBI:78333)
IUPAC Name 
3,7-dimethylocta-1,6-dien-3-yl acetate