EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H26N4O4S |
| Net Charge | 0 |
| Average Mass | 454.552 |
| Monoisotopic Mass | 454.16748 |
| SMILES | COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2S(=O)(=O)c2cn(C)cn2)[C@@H](CO)N3)c1 |
| InChI | InChI=1S/C23H26N4O4S/c1-26-12-22(24-14-26)32(29,30)27-9-8-18-21(13-28)25-20-7-6-16(11-19(20)23(18)27)15-4-3-5-17(10-15)31-2/h3-7,10-12,14,18,21,23,25,28H,8-9,13H2,1-2H3/t18-,21-,23-/m1/s1 |
| InChIKey | CSGQIFMBSMLAAS-JMUQELJHSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(3aR,4S,9bR)-8-(3-methoxyphenyl)-1-[(1-methyl-4-imidazolyl)sulfonyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol (CHEBI:126129) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-37696 | LINCS |