EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H22N2O5 |
| Net Charge | 0 |
| Average Mass | 382.416 |
| Monoisotopic Mass | 382.15287 |
| SMILES | COC(=O)C1=C(C)N=C(C)C(C(=O)OC)C1c1cc2ccc(C)cc2nc1=O |
| InChI | InChI=1S/C21H22N2O5/c1-10-6-7-13-9-14(19(24)23-15(13)8-10)18-16(20(25)27-4)11(2)22-12(3)17(18)21(26)28-5/h6-9,16,18H,1-5H3,(H,23,24) |
| InChIKey | NWZKZFFARSOMDJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-26269 (CHEBI:114807) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-26269 | LINCS |