EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H29N3O5 |
| Net Charge | 0 |
| Average Mass | 487.556 |
| Monoisotopic Mass | 487.21072 |
| SMILES | COc1ccc(C2c3c(n(Cc4ccccc4)c(=O)nc3=O)N=C3CC(C)(C)CC(=O)C32)cc1OC |
| InChI | InChI=1S/C28H29N3O5/c1-28(2)13-18-23(19(32)14-28)22(17-10-11-20(35-3)21(12-17)36-4)24-25(29-18)31(27(34)30-26(24)33)15-16-8-6-5-7-9-16/h5-12,22-23H,13-15H2,1-4H3,(H,30,33,34) |
| InChIKey | GQFNSLCDWJCOPM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-34844 (CHEBI:123402) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-34844 | LINCS |