EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C18H23BrN2O2 |
| Net Charge | 0 |
| Average Mass | 379.298 |
| Monoisotopic Mass | 378.09429 |
| SMILES | O=C(C1CCCC1)N1CC[C@@H]2[C@H](CO)Nc3ccc(Br)cc3[C@@H]21 |
| InChI | InChI=1S/C18H23BrN2O2/c19-12-5-6-15-14(9-12)17-13(16(10-22)20-15)7-8-21(17)18(23)11-3-1-2-4-11/h5-6,9,11,13,16-17,20,22H,1-4,7-8,10H2/t13-,16+,17-/m1/s1 |
| InChIKey | FHPYUOXHERBYNW-XOKHGSTOSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(3aR,4R,9bR)-8-bromo-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclopentylmethanone (CHEBI:127442) is a pyrroloquinoline (CHEBI:50918) |
| Manual Xrefs | Databases |
|---|---|
| LSM-39000 | LINCS |