EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C8H11NO4 |
| Net Charge | 0 |
| Average Mass | 185.179 |
| Monoisotopic Mass | 185.06881 |
| SMILES | NC(COO)c1cc(O)cc(O)c1 |
| InChI | InChI=1S/C8H11NO4/c9-8(4-13-12)5-1-6(10)3-7(11)2-5/h1-3,8,10-12H,4,9H2 |
| InChIKey | SBPFFSJIFJTUEG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-(1-amino-2-hydroperoxyethyl)benzene-1,3-diol (CHEBI:125386) is a resorcinols (CHEBI:33572) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36869 | LINCS |