EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H21NO4 |
| Net Charge | 0 |
| Average Mass | 351.402 |
| Monoisotopic Mass | 351.14706 |
| SMILES | COC(=O)C1C(=O)C(C=Nc2cccc3ccccc23)C(=O)CC1(C)C |
| InChI | InChI=1S/C21H21NO4/c1-21(2)11-17(23)15(19(24)18(21)20(25)26-3)12-22-16-10-6-8-13-7-4-5-9-14(13)16/h4-10,12,15,18H,11H2,1-3H3 |
| InChIKey | XOJSYFQECFHGBL-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-19868 (CHEBI:108492) is a naphthalenes (CHEBI:25477) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19868 | LINCS |