EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H20FN3O6S |
| Net Charge | 0 |
| Average Mass | 485.493 |
| Monoisotopic Mass | 485.10568 |
| SMILES | O=C(O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]1N2S(=O)(=O)c1ccccc1F |
| InChI | InChI=1S/C23H20FN3O6S/c24-16-3-1-2-4-19(16)34(32,33)27-18-11-26-17(21(27)20(23(30)31)15(18)12-28)6-5-14(22(26)29)13-7-9-25-10-8-13/h1-10,15,18,20-21,28H,11-12H2,(H,30,31)/t15-,18-,20+,21+/m1/s1 |
| InChIKey | OZRBNBICDFVIFO-NXXWWENFSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-11658 (CHEBI:100283) is a bipyridines (CHEBI:50511) |
| Manual Xrefs | Databases |
|---|---|
| LSM-11658 | LINCS |