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CHEBI:174598 - Pipernonaline

ChEBI IDCHEBI:174598
ChEBI NamePipernonaline
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H27NO3
Net Charge0
Average Mass341.451
Monoisotopic Mass341.19909
SMILESO=C(/C=C/CCCC/C=C/c1ccc2c(c1)OCO2)N1CCCCC1
InChIInChI=1S/C21H27NO3/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/h6-7,10-13,16H,1-5,8-9,14-15,17H2/b10-6+,11-7+
InChIKeyPKLGRWSJBLGIBF-JMQWPVDRSA-N
ChEBI Ontology
Outgoing Relation(s)
Pipernonaline (CHEBI:174598) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
(2E,8E)-9-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylnona-2,8-dien-1-one
Manual XrefsDatabases
8150187ChemSpider
HMDB0030339HMDB