CHEBI:191626 - Isopropyl cinnamate

ChEBI IDCHEBI:191626
ChEBI NameIsopropyl cinnamate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O2
Net Charge0
Average Mass190.242
Monoisotopic Mass190.09938
SMILESCC(C)OC(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H14O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+
InChIKeyRGACABDFLVLVCT-CMDGGOBGSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Isopropyl cinnamate (CHEBI:191626) is a cinnamate ester (CHEBI:36087)
IUPAC Name 
propan-2-yl (E)-3-phenylprop-2-enoate
Manual XrefsDatabases
4437888ChemSpider
Registry NumbersSources
CAS:6/5/7780ChemIDplus