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CHEBI:169186 - 1-Phenyl-1,3-eicosanedione

ChEBI IDCHEBI:169186
ChEBI Name1-Phenyl-1,3-eicosanedione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H42O2
Net Charge0
Average Mass386.620
Monoisotopic Mass386.31848
SMILESCCCCCCCCCCCCCCCCCC(=O)CC(=O)c1ccccc1
InChIInChI=1S/C26H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)23-26(28)24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3
InChIKeyLRQGFQDEQPZDQC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
1-Phenyl-1,3-eicosanedione (CHEBI:169186) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
1-phenylicosane-1,3-dione
Manual XrefsDatabases
HMDB0032925HMDB
84878ChemSpider
Registry NumbersSources
CAS:58446-52-9ChemIDplus