EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:127074 - [(3aR,4S,9bS)-8-bromo-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-cyclohexylmethanone

ChEBI IDCHEBI:127074
ChEBI Name[(3aR,4S,9bS)-8-bromo-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-cyclohexylmethanone
Stars
DownloadsMolfile
FormulaC20H27BrN2O2
Net Charge0
Average Mass407.352
Monoisotopic Mass406.12559
SMILESCN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCCCC2)[C@H]1CO
InChIInChI=1S/C20H27BrN2O2/c1-22-17-8-7-14(21)11-16(17)19-15(18(22)12-24)9-10-23(19)20(25)13-5-3-2-4-6-13/h7-8,11,13,15,18-19,24H,2-6,9-10,12H2,1H3/t15-,18+,19-/m0/s1
InChIKeyBKTNQFPVSPQVST-IPELMVKDSA-N
ChEBI Ontology
Outgoing Relation(s)
[(3aR,4S,9bS)-8-bromo-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-cyclohexylmethanone (CHEBI:127074) is a pyrroloquinoline (CHEBI:50918)
Manual XrefsDatabases
LSM-38637LINCS