EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C8H11NO4S |
| Net Charge | 0 |
| Average Mass | 217.246 |
| Monoisotopic Mass | 217.04088 |
| SMILES | NCCc1ccc(OS(=O)(=O)O)cc1 |
| InChI | InChI=1S/C8H11NO4S/c9-6-5-7-1-3-8(4-2-7)13-14(10,11)12/h1-4H,5-6,9H2,(H,10,11,12) |
| InChIKey | DYDUXGMDSXJQFT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| sulfuric acid [4-(2-aminoethyl)phenyl] ester (CHEBI:125571) is a aryl sulfate (CHEBI:37919) |
| Manual Xrefs | Databases |
|---|---|
| HMDB0006409 | HMDB |
| LSM-37105 | LINCS |