EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H27N3O3 |
| Net Charge | 0 |
| Average Mass | 381.476 |
| Monoisotopic Mass | 381.20524 |
| SMILES | COCCn1cc(C(=O)N2CCC(C)CC2)c2c3ccccc3n(C)c2c1=O |
| InChI | InChI=1S/C22H27N3O3/c1-15-8-10-24(11-9-15)21(26)17-14-25(12-13-28-3)22(27)20-19(17)16-6-4-5-7-18(16)23(20)2/h4-7,14-15H,8-13H2,1-3H3 |
| InChIKey | NVJXEMYYMSDBAO-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(2-methoxyethyl)-9-methyl-4-[(4-methyl-1-piperidinyl)-oxomethyl]-1-pyrido[3,4-b]indolone (CHEBI:107935) is a β-carbolines (CHEBI:60834) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19312 | LINCS |