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CHEBI:78334 - (R)-linalyl acetate

ChEBI IDCHEBI:78334
ChEBI Name(R)-linalyl acetate
Stars
ASCII Name(R)-linalyl acetate
DefinitionThe (R)-enantiomer of linalyl acetate.
Last Modified28 July 2014
Submitternamrata
DownloadsMolfile
FormulaC12H20O2
Net Charge0
Average Mass196.290
Monoisotopic Mass196.14633
SMILESC=C[C@@](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/t12-/m0/s1
InChIKeyUWKAYLJWKGQEPM-LBPRGKRZSA-N
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
ChEBI Ontology
Outgoing Relation(s)
(R)-linalyl acetate (CHEBI:78334) has role plant metabolite (CHEBI:76924)
(R)-linalyl acetate (CHEBI:78334) has role volatile oil component (CHEBI:27311)
(R)-linalyl acetate (CHEBI:78334) is a 3,7-dimethylocta-1,6-dien-3-yl acetate (CHEBI:78333)
(R)-linalyl acetate (CHEBI:78334) is enantiomer of (S)-linalyl acetate (CHEBI:78335)
Incoming Relation(s)
linalyl acetate (CHEBI:6469) has part (R)-linalyl acetate (CHEBI:78334)
(S)-linalyl acetate (CHEBI:78335) is enantiomer of (R)-linalyl acetate (CHEBI:78334)
IUPAC Name 
(3R)-3,7-dimethylocta-1,6-dien-3-yl acetate
Synonym  Source
(−)-linalyl acetateChemIDplus
Manual XrefsDatabases
C09863KEGG COMPOUND
C00003048KNApSAcK
Registry NumbersSources
Reaxys:1724499Reaxys
CAS:16509-46-9ChemIDplus
CAS:115-95-7KEGG COMPOUND
Citations