EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H33N3O3 |
| Net Charge | 0 |
| Average Mass | 435.568 |
| Monoisotopic Mass | 435.25219 |
| SMILES | CC=Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)Nc4ccc(OC)cc4)C[C@@H]23)cc1 |
| InChI | InChI=1S/C26H33N3O3/c1-3-6-19-7-9-20(10-8-19)25-23-17-28(15-4-5-16-29(23)24(25)18-30)26(31)27-21-11-13-22(32-2)14-12-21/h3,6-14,23-25,30H,4-5,15-18H2,1-2H3,(H,27,31)/t23-,24-,25+/m0/s1 |
| InChIKey | RZMBMSVRIOKJNG-CCDWMCETSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-38059 (CHEBI:126495) is a azetidines (CHEBI:38777) |
| LSM-38059 (CHEBI:126495) is a benzenes (CHEBI:22712) |
| LSM-38059 (CHEBI:126495) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-38059 | LINCS |