EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H12N2O2S |
| Net Charge | 0 |
| Average Mass | 296.351 |
| Monoisotopic Mass | 296.06195 |
| SMILES | Cc1ccc2c(c1)-c1ccc3cccnc3c1NS2(=O)=O |
| InChI | InChI=1S/C16H12N2O2S/c1-10-4-7-14-13(9-10)12-6-5-11-3-2-8-17-15(11)16(12)18-21(14,19)20/h2-9,18H,1H3 |
| InChIKey | KYPLTYNYSYVGGA-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Role: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 9-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide (CHEBI:94994) is a benzothiazine (CHEBI:46899) |
| Manual Xrefs | Databases |
|---|---|
| LSM-6219 | LINCS |