EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C31H36N2O4 |
| Net Charge | 0 |
| Average Mass | 500.639 |
| Monoisotopic Mass | 500.26751 |
| SMILES | C[C@H]1CN([C@@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@@H]1CN(C)C(=O)Cc1ccccc1 |
| InChI | InChI=1S/C31H36N2O4/c1-22-18-33(23(2)20-34)31(36)28-16-10-9-15-27(28)26-14-8-7-13-25(26)21-37-29(22)19-32(3)30(35)17-24-11-5-4-6-12-24/h4-16,22-23,29,34H,17-21H2,1-3H3/t22-,23-,29+/m0/s1 |
| InChIKey | VEXUQYCDGUTBQK-SBZVUBOMSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-10044 (CHEBI:98665) is a acetamides (CHEBI:22160) |
| Manual Xrefs | Databases |
|---|---|
| LSM-10044 | LINCS |