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CHEBI:230384 - 1-Phenyl-1,3-hexadecanedione

ChEBI IDCHEBI:230384
ChEBI Name1-Phenyl-1,3-hexadecanedione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O2
Net Charge0
Average Mass330.512
Monoisotopic Mass330.25588
SMILESCCCCCCCCCCCCCC(=O)CC(=O)c1ccccc1
InChIInChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-15-18-21(23)19-22(24)20-16-13-12-14-17-20/h12-14,16-17H,2-11,15,18-19H2,1H3
InChIKeyPYPCDBLMVZWDGV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
1-Phenyl-1,3-hexadecanedione (CHEBI:230384) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
1-phenylhexadecane-1,3-dione
Manual XrefsDatabases
HMDB0035581HMDB
14481286ChemSpider