CHEBI:170097 - Linalyl caprylate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Linalyl caprylate
ChEBI ID CHEBI:170097
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H32O2
Net Charge 0
Average Mass 280.452
Monoisotopic Mass 280.24023
InChI InChI=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
InChIKey OJKMRECJBIPPRG-UHFFFAOYSA-N
SMILES O(C(CCC=C(C)C)(C)C=C)C(=O)CCCCCCC
Metabolite of Species Details
reference compound Found in mixture (CHEBI:60004). of strain [] See: MetaboLights Study
reference compound Found in mixture (CHEBI:60004). of strain [] See: MetaboLights Study
Mus musculus (NCBI:txid10090) Found in Hepa-RG cell (BTO:0005736). of strain C57BL/6J [EFO:0000606] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell (BTO:0000567). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell;NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Hepa-RG cell (BTO:0005736). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing Linalyl caprylate (CHEBI:170097) is a monoterpenoid (CHEBI:25409)
IUPAC Name
3,7-dimethylocta-1,6-dien-3-yl octanoate
Manual Xrefs Databases
55359 ChemSpider
HMDB0030430 HMDB
View more database links
Registry Number Type Source
10024-64-3 CAS Registry Number ChemIDplus