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CHEBI:170097 - Linalyl caprylate

ChEBI IDCHEBI:170097
ChEBI NameLinalyl caprylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32O2
Net Charge0
Average Mass280.452
Monoisotopic Mass280.24023
SMILESC=CC(C)(CCC=C(C)C)OC(=O)CCCCCCC
InChIInChI=1S/C18H32O2/c1-6-8-9-10-11-14-17(19)20-18(5,7-2)15-12-13-16(3)4/h7,13H,2,6,8-12,14-15H2,1,3-5H3
InChIKeyOJKMRECJBIPPRG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
Homo sapiens (ncbitaxon:9606)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
ChEBI Ontology
Outgoing Relation(s)
Linalyl caprylate (CHEBI:170097) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
3,7-dimethylocta-1,6-dien-3-yl octanoate
Manual XrefsDatabases
55359ChemSpider
HMDB0030430HMDB
Registry NumbersSources
CAS:10024-64-3ChemIDplus