CHEBI:177629 - (2E)-5-methyl-2-phenylhex-2-enal

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 (2E)-5-methyl-2-phenylhex-2-enal
ChEBI ID CHEBI:177629
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H16O
Net Charge 0
Average Mass 188.270
Monoisotopic Mass 188.12012
InChI InChI=1S/C13H16O/c1-11(2)8-9-13(10-14)12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3/b13-9-
InChIKey YURDCJXYOLERLO-LCYFTJDESA-N
SMILES O=C\C(=C\CC(C)C)\C1=CC=CC=C1
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing (2E)-5-methyl-2-phenylhex-2-enal (CHEBI:177629) is a phenylacetaldehydes (CHEBI:25973)
IUPAC Name
(E)-5-methyl-2-phenylhex-2-enal
Manual Xrefs Databases
4521383 ChemSpider
HMDB0031855 HMDB
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Registry Number Type Source
21834-92-4 CAS Registry Number ChemIDplus