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CHEBI:144708 - linalool oxide pyranoside

ChEBI IDCHEBI:144708
ChEBI Namelinalool oxide pyranoside
Stars
DefinitionA member of the class of oxanes that is oxane substituted by methyl groups at positions 2,2 and 6, by a hydroxy group at position 3 and by an ethenyl group at position 6.
Last Modified4 February 2022
Submittermwilliams
DownloadsMolfile
FormulaC10H18O2
Net Charge0
Average Mass170.252
Monoisotopic Mass170.13068
SMILESC=CC1(C)CCC(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
InChIKeyBCTBAGTXFYWYMW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Vitis vinifera (ncbitaxon:29760)
berry (BTO:0000119) MetaboLights (MTBLS968) Strain: Vitis vinifera L. cv. Xiangfei
berry (BTO:0000119) MetaboLights (MTBLS968) Strain: Vitis vinifera L. cv. Zaomeiguixiang
berry (BTO:0000119) MetaboLights (MTBLS968) Strain: Vitis vinifera L. cv. Italia
Magnolia sprengeri (ncbitaxon:86737) flower (BTO:0000469) PubMed (24922537)
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 pyranoside (CHEBI:144708) has role flavouring agent (CHEBI:35617)
linalool oxide pyranoside (CHEBI:144708) has role pheromone (CHEBI:26013)
linalool oxide pyranoside (CHEBI:144708) has role plant metabolite (CHEBI:76924)
linalool oxide pyranoside (CHEBI:144708) is a olefinic compound (CHEBI:78840)
linalool oxide pyranoside (CHEBI:144708) is a oxanes (CHEBI:46942)
linalool oxide pyranoside (CHEBI:144708) is a secondary alcohol (CHEBI:35681)
Incoming Relation(s)
Linalool oxide (trans-pyranoid) (CHEBI:180233) is a linalool oxide pyranoside (CHEBI:144708)
Linalool oxide III (CHEBI:180229) is a linalool oxide pyranoside (CHEBI:144708)
IUPAC Name 
6-ethenyl-2,2,6-trimethyltetrahydro-2H-pyran-3-ol
Synonyms  Source
6-ethenyl-2,2,6-trimethyloxan-3-olIUPAC
FEMA 4593ChEBI
linalool oxide pyranoidChemIDplus
3-hydroxy-2,2,6-trimethyl-6-vinyltetrahydropyranChemIDplus
6-ethenyltetrahydro-2,2,6-trimethyl-2H-pyran-3-olChemIDplus
tetrahydro-2,2,6-trimethyl-6-vinyl-2H-pyran-3-olChemIDplus
Manual XrefsDatabases
C00010325KNApSAcK
HMDB0035365HMDB
FDB014038FooDB
24591ChemSpider
Registry NumbersSources
Reaxys:117564Reaxys
CAS:14049-11-7ChemIDplus
CAS:14049-11-7NIST Chemistry WebBook
Citations