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CHEBI:78335 - (S)-linalyl acetate

ChEBI IDCHEBI:78335
ChEBI Name(S)-linalyl acetate
Stars
ASCII Name(S)-linalyl acetate
DefinitionThe (S)-enantiomer of linalyl acetate.
Last Modified7 May 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-/m1/s1
InChIKeyUWKAYLJWKGQEPM-GFCCVEGCSA-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)
(S)-linalyl acetate (CHEBI:78335) has role plant metabolite (CHEBI:76924)
(S)-linalyl acetate (CHEBI:78335) has role volatile oil component (CHEBI:27311)
(S)-linalyl acetate (CHEBI:78335) is a 3,7-dimethylocta-1,6-dien-3-yl acetate (CHEBI:78333)
(S)-linalyl acetate (CHEBI:78335) is enantiomer of (R)-linalyl acetate (CHEBI:78334)
Incoming Relation(s)
linalyl acetate (CHEBI:6469) has part (S)-linalyl acetate (CHEBI:78335)
(R)-linalyl acetate (CHEBI:78334) is enantiomer of (S)-linalyl acetate (CHEBI:78335)
Synonyms  Source
(3S)-3,7-dimethylocta-1,6-dien-3-yl acetateChEBI
(+)-linalyl acetateChemIDplus
Registry NumbersSources
Reaxys:1724498Reaxys
CAS:51685-40-6ChemIDplus