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CHEBI:174625 - Panaquinquecol 4

ChEBI IDCHEBI:174625
ChEBI NamePanaquinquecol 4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O3
Net Charge0
Average Mass274.360
Monoisotopic Mass274.15689
SMILESCCCCCCCC1OC1CC#CC#CC(=O)C1CO1
InChIInChI=1S/C17H22O3/c1-2-3-4-5-8-11-15-16(20-15)12-9-6-7-10-14(18)17-13-19-17/h15-17H,2-5,8,11-13H2,1H3
InChIKeyZDTPCVGIYZHVNO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Panaquinquecol 4 (CHEBI:174625) is a α,β-unsaturated ketone (CHEBI:51721)
IUPAC Name 
6-(3-heptyloxiran-2-yl)-1-(oxiran-2-yl)hexa-2,4-diyn-1-one
Manual XrefsDatabases
8643998ChemSpider
HMDB0038939HMDB