EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C30H35N3O6S |
| Net Charge | 0 |
| Average Mass | 565.692 |
| Monoisotopic Mass | 565.22466 |
| SMILES | COc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3ncc(C=Cc4ccccc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1 |
| InChI | InChI=1S/C30H35N3O6S/c1-21-18-33(22(2)20-34)30(35)27-16-24(11-10-23-8-6-5-7-9-23)17-31-29(27)39-28(21)19-32(3)40(36,37)26-14-12-25(38-4)13-15-26/h5-17,21-22,28,34H,18-20H2,1-4H3/t21-,22-,28+/m1/s1 |
| InChIKey | RWAKEFQIDXFPPV-XJGOYTCSSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-7878 (CHEBI:96499) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-7878 | LINCS |