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CHEBI:6778 - Mesembrine

ChEBI IDCHEBI:6778
ChEBI NameMesembrine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H23NO3
Net Charge0
Average Mass289.375
Monoisotopic Mass289.16779
SMILES[H][C@]12CC(=O)CC[C@@]1(c1ccc(OC)c(OC)c1)CCN2C
InChIInChI=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
InChIKeyDAHIQPJTGIHDGO-IRXDYDNUSA-N
ChEBI Ontology
Outgoing Relation(s)
Mesembrine (CHEBI:6778) is a pyrrolidines (CHEBI:38260)
Synonym  Source
MesembrineKEGG COMPOUND
Manual XrefsDatabases
C09224KEGG COMPOUND
C00001749KNApSAcK
Registry NumbersSources
CAS:24880-43-1KEGG COMPOUND