EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H26N4O3 |
| Net Charge | 0 |
| Average Mass | 406.486 |
| Monoisotopic Mass | 406.20049 |
| SMILES | COc1ccc(C[C@@H]2CCc3cnnn3COC[C@@H](c3ccccc3)NC2=O)cc1 |
| InChI | InChI=1S/C23H26N4O3/c1-29-21-11-7-17(8-12-21)13-19-9-10-20-14-24-26-27(20)16-30-15-22(25-23(19)28)18-5-3-2-4-6-18/h2-8,11-12,14,19,22H,9-10,13,15-16H2,1H3,(H,25,28)/t19-,22-/m0/s1 |
| InChIKey | RPEPJDZJYGGDNL-UGKGYDQZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (5R,8S)-8-[(4-methoxyphenyl)methyl]-5-phenyl-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one (CHEBI:131129) is a methoxybenzenes (CHEBI:51683) |
| Manual Xrefs | Databases |
|---|---|
| LSM-42677 | LINCS |