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CHEBI:222398 - 1-Phenylheptane-1,5-dione

ChEBI IDCHEBI:222398
ChEBI Name1-Phenylheptane-1,5-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O2
Net Charge0
Average Mass204.269
Monoisotopic Mass204.11503
SMILESCCC(=O)CCCC(=O)c1ccccc1
InChIInChI=1S/C13H16O2/c1-2-12(14)9-6-10-13(15)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
InChIKeyQBWSVZLAABDSMD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phellinus (ncbitaxon:40470) - DOI (10.1021/np50097a027)
ChEBI Ontology
Outgoing Relation(s)
1-Phenylheptane-1,5-dione (CHEBI:222398) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
1-phenylheptane-1,5-dione
Manual XrefsDatabases
9281603ChemSpider