EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C32H39N3O5 |
| Net Charge | 0 |
| Average Mass | 545.680 |
| Monoisotopic Mass | 545.28897 |
| SMILES | COc1ccc(CNC(=O)N(C)C[C@H]2OCc3ccccc3-c3ccccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 |
| InChI | InChI=1S/C32H39N3O5/c1-22-18-35(23(2)20-36)31(37)29-12-8-7-11-28(29)27-10-6-5-9-25(27)21-40-30(22)19-34(3)32(38)33-17-24-13-15-26(39-4)16-14-24/h5-16,22-23,30,36H,17-21H2,1-4H3,(H,33,38)/t22-,23+,30+/m0/s1 |
| InChIKey | BRMWAKMKOMKLLH-DDFCPOBKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-11778 (CHEBI:100403) is a methoxybenzenes (CHEBI:51683) |
| Manual Xrefs | Databases |
|---|---|
| LSM-11778 | LINCS |