EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H13N3O7S |
| Net Charge | 0 |
| Average Mass | 439.405 |
| Monoisotopic Mass | 439.04742 |
| SMILES | O=C1C=C(S(=O)(=O)O)c2cc([N+](=O)[O-])ccc2C1=NNc1ccc2ccccc2c1O |
| InChI | InChI=1S/C20H13N3O7S/c24-17-10-18(31(28,29)30)15-9-12(23(26)27)6-7-14(15)19(17)22-21-16-8-5-11-3-1-2-4-13(11)20(16)25/h1-10,21,25H,(H,28,29,30) |
| InChIKey | HXCVORTXAHFAHC-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[(1-hydroxy-2-naphthalenyl)hydrazinylidene]-7-nitro-3-oxo-1-naphthalenesulfonic acid (CHEBI:92292) is a nitronaphthalene (CHEBI:50631) |
| Manual Xrefs | Databases |
|---|---|
| LSM-2354 | LINCS |