CHEBI:186898 - Cinnamyl cinnamate

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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 Cinnamyl cinnamate
ChEBI ID CHEBI:186898
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H16O2
Net Charge 0
Average Mass 264.324
Monoisotopic Mass 264.11503
InChI InChI=1S/C18H16O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-14H,15H2/b12-7+,14-13+
InChIKey NQBWNECTZUOWID-MZXMXVKLSA-N
SMILES O(C\C=C\C1=CC=CC=C1)C(=O)\C=C\C2=CC=CC=C2
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Cinnamyl cinnamate (CHEBI:186898) is a cinnamate ester (CHEBI:36087)
IUPAC Name
[(E)-3-phenylprop-2-enyl] (E)-3-phenylprop-2-enoate
Manual Xref Database
1267366 ChemSpider
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Registry Number Type Source
122-69-0 CAS Registry Number ChemIDplus