EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C32H39N3O6 |
| Net Charge | 0 |
| Average Mass | 561.679 |
| Monoisotopic Mass | 561.28389 |
| SMILES | COc1ccc(NC(=O)N(C)C[C@@H]2OCc3ccccc3-c3ccccc3C(=O)N([C@H](C)CO)C[C@@H]2C)c(OC)c1 |
| InChI | InChI=1S/C32H39N3O6/c1-21-17-35(22(2)19-36)31(37)27-13-9-8-12-26(27)25-11-7-6-10-23(25)20-41-30(21)18-34(3)32(38)33-28-15-14-24(39-4)16-29(28)40-5/h6-16,21-22,30,36H,17-20H2,1-5H3,(H,33,38)/t21-,22+,30-/m0/s1 |
| InChIKey | XPWZMLBKMSEGRL-ZQLNOWDWSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-30778 (CHEBI:119329) is a ureas (CHEBI:47857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-30778 | LINCS |