CHEBI:191563 - Heptyl cinnamate

ChEBI IDCHEBI:191563
ChEBI NameHeptyl cinnamate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O2
Net Charge0
Average Mass246.350
Monoisotopic Mass246.16198
SMILESCCCCCCCOC(=O)/C=C/c1ccccc1
InChIInChI=1S/C16H22O2/c1-2-3-4-5-9-14-18-16(17)13-12-15-10-7-6-8-11-15/h6-8,10-13H,2-5,9,14H2,1H3/b13-12+
InChIKeyDCXNRXBLAGAHIL-OUKQBFOZSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Heptyl cinnamate (CHEBI:191563) is a cinnamate ester (CHEBI:36087)
IUPAC Name 
heptyl (E)-3-phenylprop-2-enoate
Manual XrefsDatabases
4940531ChemSpider
Registry NumbersSources
CAS:10032-08-3ChemIDplus