EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H23N5O4 |
| Net Charge | 0 |
| Average Mass | 433.468 |
| Monoisotopic Mass | 433.17500 |
| SMILES | C=CC(C)(C)C12C=C(O)C(=O)N3/C(=C/c4cncn4)C(=O)NC31N(OC)c1ccccc12 |
| InChI | InChI=1S/C23H23N5O4/c1-5-21(2,3)22-11-18(29)20(31)27-17(10-14-12-24-13-25-14)19(30)26-23(22,27)28(32-4)16-9-7-6-8-15(16)22/h5-13,29H,1H2,2-4H3,(H,24,25)(H,26,30)/b17-10+ |
| InChIKey | JTJJJLSLKZFEPJ-LICLKQGHSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (14E)-11-Hydroxy-14-(1H-imidazol-5-ylmethylidene)-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione (CHEBI:181935) is a pyridoindole (CHEBI:48888) |
| IUPAC Name |
|---|
| (14E)-11-hydroxy-14-(1H-imidazol-5-ylmethylidene)-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione |