EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:131019 - [(1R,2aR,8bR)-4-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-cyclopentylmethanone

ChEBI IDCHEBI:131019
ChEBI Name[(1R,2aR,8bR)-4-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-cyclopentylmethanone
Stars
DownloadsMolfile
FormulaC24H25FN2O3
Net Charge0
Average Mass408.473
Monoisotopic Mass408.18492
SMILESO=C(c1ccccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCC1
InChIInChI=1S/C24H25FN2O3/c25-18-11-5-3-9-16(18)24(30)26-13-20-22(17-10-4-6-12-19(17)26)21(14-28)27(20)23(29)15-7-1-2-8-15/h3-6,9-12,15,20-22,28H,1-2,7-8,13-14H2/t20-,21-,22+/m0/s1
InChIKeyCAEYGZMFCDCAEW-FDFHNCONSA-N
ChEBI Ontology
Outgoing Relation(s)
[(1R,2aR,8bR)-4-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-cyclopentylmethanone (CHEBI:131019) is a quinolines (CHEBI:26513)
Manual XrefsDatabases
LSM-42567LINCS