CHEBI:173562 - 2-pentyl-3-phenyl-2-propenal

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 2-pentyl-3-phenyl-2-propenal
ChEBI ID CHEBI:173562
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H18O
Net Charge 0
Average Mass 202.297
Monoisotopic Mass 202.13577
InChI InChI=1S/C14H18O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3/b14-11+
InChIKey HMKKIXGYKWDQSV-SDNWHVSQSA-N
SMILES O=C\C(\CCCCC)=C\C1=CC=CC=C1
ChEBI Ontology
Outgoing 2-pentyl-3-phenyl-2-propenal (CHEBI:173562) is a cinnamaldehydes (CHEBI:23245)
IUPAC Name
(2E)-2-benzylideneheptanal
Synonym Source
Jasmonal ChEBI
Manual Xrefs Databases
1302718 ChemSpider
C12288 KEGG COMPOUND
HMDB0031313 HMDB
View more database links
Registry Number Type Source
1331-92-6 CAS Registry Number ChemIDplus
Last Modified
26 February 2023