EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H24N4O6S |
| Net Charge | 0 |
| Average Mass | 460.512 |
| Monoisotopic Mass | 460.14166 |
| SMILES | CCS(=O)(=O)c1ccc(Oc2cc(O[C@@H](C)CO)cc(C(=O)Nc3ccn(C)n3)c2)cn1 |
| InChI | InChI=1S/C21H24N4O6S/c1-4-32(28,29)20-6-5-16(12-22-20)31-18-10-15(9-17(11-18)30-14(2)13-26)21(27)23-19-7-8-25(3)24-19/h5-12,14,26H,4,13H2,1-3H3,(H,23,24,27)/t14-/m0/s1 |
| InChIKey | KJSGTWFWVTYPFZ-AWEZNQCLSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| mk-0941 free base (CHEBI:755643) is a aromatic ether (CHEBI:35618) |