EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H27FN2O4S |
| Net Charge | 0 |
| Average Mass | 482.577 |
| Monoisotopic Mass | 482.16756 |
| SMILES | COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2F)[C@@H](CO)N3C)c1 |
| InChI | InChI=1S/C26H27FN2O4S/c1-28-23-11-10-18(17-6-5-7-19(14-17)33-2)15-21(23)26-20(24(28)16-30)12-13-29(26)34(31,32)25-9-4-3-8-22(25)27/h3-11,14-15,20,24,26,30H,12-13,16H2,1-2H3/t20-,24+,26-/m0/s1 |
| InChIKey | OQGGSWBKNXINQW-KHMOSXFSSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(3aS,4S,9bS)-1-(2-fluorophenyl)sulfonyl-8-(3-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol (CHEBI:129826) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-41377 | LINCS |