EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:6779 - Mesembrinol

ChEBI IDCHEBI:6779
ChEBI NameMesembrinol
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H25NO3
Net Charge0
Average Mass291.391
Monoisotopic Mass291.18344
SMILES[H][C@]12C[C@H](O)CC[C@@]1(c1ccc(OC)c(OC)c1)CCN2C
InChIInChI=1S/C17H25NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-5,10,13,16,19H,6-9,11H2,1-3H3/t13-,16+,17+/m1/s1
InChIKeyKPMLOZVRLWHOBN-COXVUDFISA-N
ChEBI Ontology
Outgoing Relation(s)
Mesembrinol (CHEBI:6779) is a pyrrolidines (CHEBI:38260)
Synonym  Source
MesembrinolKEGG COMPOUND
Manual XrefsDatabases
C09225KEGG COMPOUND
C00001750KNApSAcK
Registry NumbersSources
CAS:23544-42-5KEGG COMPOUND