CHEBI:177396 - 1-Phenyl-1,3-octadecanedione

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 1-Phenyl-1,3-octadecanedione
ChEBI ID CHEBI:177396
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H38O2
Net Charge 0
Average Mass 358.566
Monoisotopic Mass 358.28718
InChI InChI=1S/C24H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(25)21-24(26)22-18-15-14-16-19-22/h14-16,18-19H,2-13,17,20-21H2,1H3
InChIKey BKUAQOCVPRDREL-UHFFFAOYSA-N
SMILES O=C(CCCCCCCCCCCCCCC)CC(=O)C1=CC=CC=C1
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in Sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing 1-Phenyl-1,3-octadecanedione (CHEBI:177396) is a aromatic ketone (CHEBI:76224)
IUPAC Name
1-phenyloctadecane-1,3-dione
Manual Xrefs Databases
78501 ChemSpider
HMDB0035583 HMDB
View more database links
Registry Number Type Source
17281-74-2 CAS Registry Number ChemIDplus