EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H21N3O5 |
| Net Charge | 0 |
| Average Mass | 455.470 |
| Monoisotopic Mass | 455.14812 |
| SMILES | COc1ccccc1N1C(=O)C2C(C(=O)c3ccccc3)=NN(c3ccccc3OC)C2C1=O |
| InChI | InChI=1S/C26H21N3O5/c1-33-19-14-8-6-12-17(19)28-25(31)21-22(24(30)16-10-4-3-5-11-16)27-29(23(21)26(28)32)18-13-7-9-15-20(18)34-2/h3-15,21,23H,1-2H3 |
| InChIKey | ZUZQEZAJBSNUGJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-benzoyl-1,5-bis(2-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione (CHEBI:112157) is a pyrrolidines (CHEBI:38260) |
| Manual Xrefs | Databases |
|---|---|
| LSM-23569 | LINCS |