EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H26N2O6S |
| Net Charge | 0 |
| Average Mass | 458.536 |
| Monoisotopic Mass | 458.15116 |
| SMILES | CC=Cc1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)OC)[C@@H]2N1S(=O)(=O)c1cccc(C)c1 |
| InChI | InChI=1S/C23H26N2O6S/c1-4-6-15-9-10-18-21-20(23(28)31-3)17(13-26)19(12-24(18)22(15)27)25(21)32(29,30)16-8-5-7-14(2)11-16/h4-11,17,19-21,26H,12-13H2,1-3H3/t17-,19-,20+,21+/m0/s1 |
| InChIKey | JDXNLCPGROUHQS-MJUUVYJYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-14604 (CHEBI:103260) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-14604 | LINCS |