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CHEBI:172501 - Linalyl benzoate

ChEBI IDCHEBI:172501
ChEBI NameLinalyl benzoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O2
Net Charge0
Average Mass258.361
Monoisotopic Mass258.16198
SMILESC=CC(C)(CCC=C(C)C)OC(=O)c1ccccc1
InChIInChI=1S/C17H22O2/c1-5-17(4,13-9-10-14(2)3)19-16(18)15-11-7-6-8-12-15/h5-8,10-12H,1,9,13H2,2-4H3
InChIKeyBTJXBZZBBNNTOV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Linalyl benzoate (CHEBI:172501) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
3,7-dimethylocta-1,6-dien-3-yl benzoate
Manual XrefsDatabases
HMDB0030431HMDB
29086ChemSpider
Registry NumbersSources
CAS:126-64-7ChemIDplus