EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H22N2O2S |
| Net Charge | 0 |
| Average Mass | 378.497 |
| Monoisotopic Mass | 378.14020 |
| SMILES | CC(C)=C1C2CCC1C1C(=O)N(c3nc(-c4ccccc4)c(C)s3)C(=O)C21 |
| InChI | InChI=1S/C22H22N2O2S/c1-11(2)16-14-9-10-15(16)18-17(14)20(25)24(21(18)26)22-23-19(12(3)27-22)13-7-5-4-6-8-13/h4-8,14-15,17-18H,9-10H2,1-3H3 |
| InChIKey | ONPLRFHNPZGXQL-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-25805 (CHEBI:114345) is a isoindoles (CHEBI:24897) |
| Manual Xrefs | Databases |
|---|---|
| LSM-25805 | LINCS |