EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C9H11NO5S2 |
| Net Charge | 0 |
| Average Mass | 277.323 |
| Monoisotopic Mass | 277.00786 |
| SMILES | CSc1cc(NC(C)=O)ccc1OS(=O)(=O)O |
| InChI | InChI=1S/C9H11NO5S2/c1-6(11)10-7-3-4-8(9(5-7)16-2)15-17(12,13)14/h3-5H,1-2H3,(H,10,11)(H,12,13,14) |
| InChIKey | VOXWKXZBPMQUJH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(methylthio)acetaminophen sulfate (CHEBI:233217) is a aryl sulfate (CHEBI:37919) |