CHEBI:174896 - Piperundecalidine

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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 Piperundecalidine
ChEBI ID CHEBI:174896
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C23H29NO3
Net Charge 0
Average Mass 367.489
Monoisotopic Mass 367.21474
InChI InChI=1S/C23H29NO3/c25-23(24-16-10-7-11-17-24)13-9-6-4-2-1-3-5-8-12-20-14-15-21-22(18-20)27-19-26-21/h4,6,8-9,12-15,18H,1-3,5,7,10-11,16-17,19H2/b6-4+,12-8+,13-9+
InChIKey BADLEYLQAILHPV-AZMZBSBOSA-N
SMILES O=C(N1CCCCC1)\C=C\C=C\CCCC/C=C/C2=CC=3OCOC3C=C2
ChEBI Ontology
Outgoing Piperundecalidine (CHEBI:174896) is a benzodioxoles (CHEBI:38298)
IUPAC Name
(2E,4E,10E)-11-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylundeca-2,4,10-trien-1-one
Manual Xrefs Databases
23321098 ChemSpider
HMDB0030240 HMDB
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