EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H18N2O4S |
| Net Charge | 0 |
| Average Mass | 358.419 |
| Monoisotopic Mass | 358.09873 |
| SMILES | COc1ccc(CNC(=O)c2ccc3c(c2)N(C)C(=O)CS3=O)cc1 |
| InChI | InChI=1S/C18H18N2O4S/c1-20-15-9-13(5-8-16(15)25(23)11-17(20)21)18(22)19-10-12-3-6-14(24-2)7-4-12/h3-9H,10-11H2,1-2H3,(H,19,22) |
| InChIKey | AQWOKNZRXXHZFI-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) |
| N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-dioxo-1$l^{4},4-benzothiazine-6-carboxamide (CHEBI:117186) is a benzothiazine (CHEBI:46899) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28635 | LINCS |