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CHEBI:193552 - Piperettine

ChEBI IDCHEBI:193552
ChEBI NamePiperettine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H21NO3
Net Charge0
Average Mass311.381
Monoisotopic Mass311.15214
SMILESO=C(/C=C/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1
InChIInChI=1S/C19H21NO3/c21-19(20-12-6-3-7-13-20)9-5-2-1-4-8-16-10-11-17-18(14-16)23-15-22-17/h1-2,4-5,8-11,14H,3,6-7,12-13,15H2/b2-1+,8-4+,9-5+
InChIKeyDLKOUKNODPCIHZ-UMYWTXKFSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
Piperettine (CHEBI:193552) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
(2E,4E,6E)-7-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylhepta-2,4,6-trien-1-one
Manual XrefsDatabases
8420440ChemSpider
HMDB0034371HMDB