EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:6508 - Lobelanine

ChEBI IDCHEBI:6508
ChEBI NameLobelanine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC22H25NO2
Net Charge0
Average Mass335.447
Monoisotopic Mass335.18853
SMILES[H][C@@]1(CC(=O)c2ccccc2)CCC[C@]([H])(CC(=O)c2ccccc2)N1C
InChIInChI=1S/C22H25NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-20H,8,13-16H2,1H3/t19-,20+
InChIKeyIDEMKXUAULKYJV-BGYRXZFFSA-N
ChEBI Ontology
Outgoing Relation(s)
Lobelanine (CHEBI:6508) is a acetophenones (CHEBI:22187)
Synonym  Source
LobelanineKEGG COMPOUND
Manual XrefsDatabases
C10157KEGG COMPOUND
C00002052KNApSAcK
Registry NumbersSources
CAS:579-21-5KEGG COMPOUND