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CHEBI:186906 - Linalyl cinnamate

ChEBI IDCHEBI:186906
ChEBI NameLinalyl cinnamate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O2
Net Charge0
Average Mass284.399
Monoisotopic Mass284.17763
SMILESC=CC(C)(CCC=C(C)C)OC(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H24O2/c1-5-19(4,15-9-10-16(2)3)21-18(20)14-13-17-11-7-6-8-12-17/h5-8,10-14H,1,9,15H2,2-4H3/b14-13+
InChIKeyDPFUEXLIKDHJNB-BUHFOSPRSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Linalyl cinnamate (CHEBI:186906) is a cinnamate ester (CHEBI:36087)
IUPAC Name 
3,7-dimethylocta-1,6-dien-3-yl (E)-3-phenylprop-2-enoate
Manual XrefsDatabases
HMDB0030432HMDB
4511747ChemSpider
Registry NumbersSources
CAS:78-37-5ChemIDplus