EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H23N3O5 |
| Net Charge | 0 |
| Average Mass | 409.442 |
| Monoisotopic Mass | 409.16377 |
| SMILES | CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)C1c1ccccn1 |
| InChI | InChI=1S/C22H23N3O5/c1-24(2)9-10-25-19(15-5-3-4-8-23-15)18(21(27)22(25)28)20(26)14-6-7-16-17(13-14)30-12-11-29-16/h3-8,13,18-19H,9-12H2,1-2H3 |
| InChIKey | CULRBVJGSSAXKJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-32717 (CHEBI:121274) is a benzodioxine (CHEBI:64096) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32717 | LINCS |