EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H25N3O5S |
| Net Charge | 0 |
| Average Mass | 443.525 |
| Monoisotopic Mass | 443.15149 |
| SMILES | COC(=O)c1ccc(-c2sc3nc(N4CCOCC4)c4c(c3c2N)CC(C)(C)OC4)o1 |
| InChI | InChI=1S/C22H25N3O5S/c1-22(2)10-12-13(11-29-22)19(25-6-8-28-9-7-25)24-20-16(12)17(23)18(31-20)14-4-5-15(30-14)21(26)27-3/h4-5H,6-11,23H2,1-3H3 |
| InChIKey | MJPOGLKYICRFMO-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-16947 (CHEBI:105584) is a pyranopyridine (CHEBI:38192) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16947 | LINCS |