EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:128654 - [(3aS,4R,9bS)-1-(benzenesulfonyl)-8-bromo-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol

ChEBI IDCHEBI:128654
ChEBI Name[(3aS,4R,9bS)-1-(benzenesulfonyl)-8-bromo-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
Stars
DownloadsMolfile
FormulaC18H19BrN2O3S
Net Charge0
Average Mass423.332
Monoisotopic Mass422.02998
SMILESO=S(=O)(c1ccccc1)N1CC[C@H]2[C@H](CO)Nc3ccc(Br)cc3[C@H]21
InChIInChI=1S/C18H19BrN2O3S/c19-12-6-7-16-15(10-12)18-14(17(11-22)20-16)8-9-21(18)25(23,24)13-4-2-1-3-5-13/h1-7,10,14,17-18,20,22H,8-9,11H2/t14-,17-,18-/m0/s1
InChIKeyPXTOKMABBRVFCH-WBAXXEDZSA-N
ChEBI Ontology
Outgoing Relation(s)
[(3aS,4R,9bS)-1-(benzenesulfonyl)-8-bromo-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol (CHEBI:128654) is a pyrroloquinoline (CHEBI:50918)
Manual XrefsDatabases
LSM-40208LINCS