CHEBI:193552 - Piperettine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Piperettine
ChEBI ID CHEBI:193552
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H21NO3
Net Charge 0
Average Mass 311.381
Monoisotopic Mass 311.15214
InChI InChI=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+
InChIKey DLKOUKNODPCIHZ-UMYWTXKFSA-N
SMILES O=C(N1CCCCC1)/C=C/C=C/C=C/C2=CC=3OCOC3C=C2
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
8420440 ChemSpider
HMDB0034371 HMDB
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