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CHEBI:180229 - Linalool oxide III

ChEBI IDCHEBI:180229
ChEBI NameLinalool oxide III
Stars
Last Modified4 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H18O2
Net Charge0
Average Mass170.252
Monoisotopic Mass170.13068
SMILESC=C[C@]1(C)CC[C@H](O)C(C)(C)O1
InChIInChI=1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m0/s1
InChIKeyBCTBAGTXFYWYMW-WCBMZHEXSA-N
Roles Classification
Biological Roles:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
pheromone  A semiochemical used in olfactory communication between organisms of the same species eliciting a change in sexual or social behaviour.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
ChEBI Ontology
Outgoing Relation(s)
Linalool oxide III (CHEBI:180229) is a linalool oxide pyranoside (CHEBI:144708)
IUPAC Name 
(3S,6S)-6-ethenyl-2,2,6-trimethyloxan-3-ol
Manual XrefsDatabases
4933200ChemSpider
Registry NumbersSources
CAS:14009-71-3ChemIDplus