EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H16N2O6S |
| Net Charge | 0 |
| Average Mass | 436.445 |
| Monoisotopic Mass | 436.07291 |
| SMILES | COc1cccc2cc(C(=O)C3C(=O)C(=O)N(c4cc(C)on4)C3c3cccs3)oc12 |
| InChI | InChI=1S/C22H16N2O6S/c1-11-9-16(23-30-11)24-18(15-7-4-8-31-15)17(20(26)22(24)27)19(25)14-10-12-5-3-6-13(28-2)21(12)29-14/h3-10,17-18H,1-2H3 |
| InChIKey | GYMZMDRBPDXOMY-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(7-methoxy-1-benzofuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-ylpyrrolidine-2,3-dione (CHEBI:121253) is a benzofurans (CHEBI:35259) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32696 | LINCS |