EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H30N6O3 |
| Net Charge | 0 |
| Average Mass | 498.587 |
| Monoisotopic Mass | 498.23794 |
| SMILES | CCC(c1nnnn1Cc1ccco1)N(CCc1ccccc1)Cc1cc2ccc(OC)cc2nc1=O |
| InChI | InChI=1S/C28H30N6O3/c1-3-26(27-30-31-32-34(27)19-24-10-7-15-37-24)33(14-13-20-8-5-4-6-9-20)18-22-16-21-11-12-23(36-2)17-25(21)29-28(22)35/h4-12,15-17,26H,3,13-14,18-19H2,1-2H3,(H,29,35) |
| InChIKey | SSZOIAVMSLBHAT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[[1-[1-(2-furanylmethyl)-5-tetrazolyl]propyl-(2-phenylethyl)amino]methyl]-7-methoxy-1H-quinolin-2-one (CHEBI:111353) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-22809 | LINCS |