EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H16N2O6S |
| Net Charge | 0 |
| Average Mass | 388.401 |
| Monoisotopic Mass | 388.07291 |
| SMILES | COc1ccccc1CNS(=O)(=O)c1ccc2ncc(C(=O)O)c(=O)c2c1 |
| InChI | InChI=1S/C18H16N2O6S/c1-26-16-5-3-2-4-11(16)9-20-27(24,25)12-6-7-15-13(8-12)17(21)14(10-19-15)18(22)23/h2-8,10,20H,9H2,1H3,(H,19,21)(H,22,23) |
| InChIKey | VTWBDWZBNSLYDN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-[(2-methoxyphenyl)methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid (CHEBI:113064) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24474 | LINCS |