EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C30H35N3O4 |
| Net Charge | 0 |
| Average Mass | 501.627 |
| Monoisotopic Mass | 501.26276 |
| SMILES | C[C@@H]1CN([C@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@H]1CN(C)C(=O)Nc1ccccc1 |
| InChI | InChI=1S/C30H35N3O4/c1-21-17-33(22(2)19-34)29(35)27-16-10-9-15-26(27)25-14-8-7-11-23(25)20-37-28(21)18-32(3)30(36)31-24-12-5-4-6-13-24/h4-16,21-22,28,34H,17-20H2,1-3H3,(H,31,36)/t21-,22-,28+/m1/s1 |
| InChIKey | ZZJDSLIFIRXZTN-XJGOYTCSSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-30789 (CHEBI:119340) is a ureas (CHEBI:47857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-30789 | LINCS |