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CHEBI:174566 - Dehydropipernonaline

ChEBI IDCHEBI:174566
ChEBI NameDehydropipernonaline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25NO3
Net Charge0
Average Mass339.435
Monoisotopic Mass339.18344
SMILESO=C(/C=C/C=C/CC/C=C/c1ccc2c(c1)OCO2)N1CCCCC1
InChIInChI=1S/C21H25NO3/c23-21(22-14-8-5-9-15-22)11-7-4-2-1-3-6-10-18-12-13-19-20(16-18)25-17-24-19/h2,4,6-7,10-13,16H,1,3,5,8-9,14-15,17H2/b4-2+,10-6+,11-7+
InChIKeyKAYVDASZRFLFRZ-PQECNABGSA-N
ChEBI Ontology
Outgoing Relation(s)
Dehydropipernonaline (CHEBI:174566) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
(2E,4E,8E)-9-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylnona-2,4,8-trien-1-one
Manual XrefsDatabases
4944315ChemSpider
HMDB0040811HMDB
Registry NumbersSources
CAS:107584-38-3ChemIDplus