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CHEBI:95146 - LSM-6418

ChEBI IDCHEBI:95146
ChEBI NameLSM-6418
Stars
DownloadsMolfile
FormulaC21H24N2O3
Net Charge0
Average Mass352.434
Monoisotopic Mass352.17869
SMILESCOC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c(nc5ccccc45)C3C[C@H]12
InChIInChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16-,19?/m0/s1
InChIKeyGRTOGORTSDXSFK-WADGIJBFSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
LSM-6418 (CHEBI:95146) is a yohimban alkaloid (CHEBI:27358)
Manual XrefsDatabases
LSM-6418LINCS