EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H22N2O3 |
| Net Charge | 0 |
| Average Mass | 362.429 |
| Monoisotopic Mass | 362.16304 |
| SMILES | Cc1cc(C(=O)CN2C(=O)C3CC=CCC3C2=O)c(C)n1-c1ccccc1 |
| InChI | InChI=1S/C22H22N2O3/c1-14-12-19(15(2)24(14)16-8-4-3-5-9-16)20(25)13-23-21(26)17-10-6-7-11-18(17)22(23)27/h3-9,12,17-18H,10-11,13H2,1-2H3 |
| InChIKey | LOWWUGJFIKLJBS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione (CHEBI:109852) is a pyrroles (CHEBI:26455) |
| Manual Xrefs | Databases |
|---|---|
| LSM-21280 | LINCS |