EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C31H37N3O5 |
| Net Charge | 0 |
| Average Mass | 531.653 |
| Monoisotopic Mass | 531.27332 |
| SMILES | COc1ccc(NC(=O)N(C)C[C@H]2OCc3ccccc3-c3ccccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 |
| InChI | InChI=1S/C31H37N3O5/c1-21-17-34(22(2)19-35)30(36)28-12-8-7-11-27(28)26-10-6-5-9-23(26)20-39-29(21)18-33(3)31(37)32-24-13-15-25(38-4)16-14-24/h5-16,21-22,29,35H,17-20H2,1-4H3,(H,32,37)/t21-,22+,29-/m1/s1 |
| InChIKey | ULNLJDUAQDCMRA-UETOGOEVSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-30757 (CHEBI:119308) is a ureas (CHEBI:47857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-30757 | LINCS |