EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H18N2O6S |
| Net Charge | 0 |
| Average Mass | 378.406 |
| Monoisotopic Mass | 378.08856 |
| SMILES | COc1cc(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc(OC)c1 |
| InChI | InChI=1S/C17H18N2O6S/c1-10-4-14-15(25-9-17(20)18-14)8-16(10)26(21,22)19-11-5-12(23-2)7-13(6-11)24-3/h4-8,19H,9H2,1-3H3,(H,18,20) |
| InChIKey | MMZYVKZJQYUWDP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(3,5-dimethoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide (CHEBI:109332) is a benzoxazine (CHEBI:46969) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20730 | LINCS |