EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H16N2O5S |
| Net Charge | 0 |
| Average Mass | 444.468 |
| Monoisotopic Mass | 444.07799 |
| SMILES | Nc1c(S(=O)(=O)O)cc(Nc2cccc3ccccc23)c2c1C(=O)c1ccccc1C2=O |
| InChI | InChI=1S/C24H16N2O5S/c25-22-19(32(29,30)31)12-18(26-17-11-5-7-13-6-1-2-8-14(13)17)20-21(22)24(28)16-10-4-3-9-15(16)23(20)27/h1-12,26H,25H2,(H,29,30,31) |
| InChIKey | ZHQRPIRGSWEALJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-amino-4-(1-naphthalenylamino)-9,10-dioxo-2-anthracenesulfonic acid (CHEBI:93255) is a anthraquinone (CHEBI:22580) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3598 | LINCS |