EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H22F2N2O3S |
| Net Charge | 0 |
| Average Mass | 456.514 |
| Monoisotopic Mass | 456.13192 |
| SMILES | O=S(=O)(c1ccccc1F)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@@H]21 |
| InChI | InChI=1S/C24H22F2N2O3S/c25-19-6-2-1-5-16(19)15-9-10-21-18(13-15)24-17(22(14-29)27-21)11-12-28(24)32(30,31)23-8-4-3-7-20(23)26/h1-10,13,17,22,24,27,29H,11-12,14H2/t17-,22+,24-/m1/s1 |
| InChIKey | GIZIALDZCCRAES-OUPRXKBMSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(3aR,4R,9bR)-8-(2-fluorophenyl)-1-(2-fluorophenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol (CHEBI:128229) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-39784 | LINCS |