EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H26N2O3 |
| Net Charge | 0 |
| Average Mass | 366.461 |
| Monoisotopic Mass | 366.19434 |
| SMILES | CCC1(CC)Cc2ccccc2C2=C(C(=O)N3CCCCC3)C(=O)C(=O)N21 |
| InChI | InChI=1S/C22H26N2O3/c1-3-22(4-2)14-15-10-6-7-11-16(15)18-17(19(25)21(27)24(18)22)20(26)23-12-8-5-9-13-23/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3 |
| InChIKey | JYGFJAIEAMRPNW-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5,5-diethyl-1-[oxo(1-piperidinyl)methyl]-6H-pyrrolo[2,1-a]isoquinoline-2,3-dione (CHEBI:114241) is a isoquinolines (CHEBI:24922) |
| Manual Xrefs | Databases |
|---|---|
| LSM-25702 | LINCS |