EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:127801 - 1-[(3aS,4R,9bS)-8-(4-fluorophenyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]ethanone

ChEBI IDCHEBI:127801
ChEBI Name1-[(3aS,4R,9bS)-8-(4-fluorophenyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]ethanone
Stars
DownloadsMolfile
FormulaC20H21FN2O2
Net Charge0
Average Mass340.398
Monoisotopic Mass340.15871
SMILESCC(=O)N1CC[C@H]2[C@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@H]21
InChIInChI=1S/C20H21FN2O2/c1-12(25)23-9-8-16-19(11-24)22-18-7-4-14(10-17(18)20(16)23)13-2-5-15(21)6-3-13/h2-7,10,16,19-20,22,24H,8-9,11H2,1H3/t16-,19-,20-/m0/s1
InChIKeyFUZLZJOZWQSGAD-VDGAXYAQSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(3aS,4R,9bS)-8-(4-fluorophenyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]ethanone (CHEBI:127801) is a quinolines (CHEBI:26513)
Manual XrefsDatabases
LSM-39357LINCS