EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H24N4O3 |
| Net Charge | 0 |
| Average Mass | 416.481 |
| Monoisotopic Mass | 416.18484 |
| SMILES | COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2cnccn2)[C@@H](CO)N3)c1 |
| InChI | InChI=1S/C24H24N4O3/c1-31-17-4-2-3-15(11-17)16-5-6-20-19(12-16)23-18(22(14-29)27-20)7-10-28(23)24(30)21-13-25-8-9-26-21/h2-6,8-9,11-13,18,22-23,27,29H,7,10,14H2,1H3/t18-,22+,23-/m0/s1 |
| InChIKey | GMDSXMKSKJEZHK-NMNUPHIUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(3aS,4S,9bS)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(2-pyrazinyl)methanone (CHEBI:126319) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-37885 | LINCS |