CHEBI:6778 - Mesembrine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Mesembrine
ChEBI ID CHEBI:6778
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H23NO3
Net Charge 0
Average Mass 289.370
Monoisotopic Mass 289.16779
InChI InChI=1S/C17H23NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-5,10,16H,6-9,11H2,1-3H3/t16-,17-/m0/s1
InChIKey DAHIQPJTGIHDGO-IRXDYDNUSA-N
SMILES COc1ccc(cc1OC)[C@]12CCN(C)[C@H]1CC(=O)CC2
ChEBI Ontology
Outgoing Mesembrine (CHEBI:6778) is a pyrrolidines (CHEBI:38260)
Synonym Source
Mesembrine KEGG COMPOUND
Manual Xrefs Databases
C00001749 KNApSAcK
C09224 KEGG COMPOUND
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Registry Number Type Source
24880-43-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014