EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C32H31FN4O5 |
| Net Charge | 0 |
| Average Mass | 570.621 |
| Monoisotopic Mass | 570.22785 |
| SMILES | [H]OC(=O)c1c([H])c([H])c([H])c([H])c1N([H])c1c(C([H])([H])[H])c([H])c([H])c([H])c1C([H])([H])OC(=O)c1c([H])n(C2([H])C([H])([H])C2([H])[H])c2c([H])c(N3C([H])([H])C([H])([H])N([H])C([H])([H])C3([H])[H])c(F)c([H])c2c1=O |
| InChI | InChI=1S/C32H31FN4O5/c1-19-5-4-6-20(29(19)35-26-8-3-2-7-22(26)31(39)40)18-42-32(41)24-17-37(21-9-10-21)27-16-28(36-13-11-34-12-14-36)25(33)15-23(27)30(24)38/h2-8,15-17,21,34-35H,9-14,18H2,1H3,(H,39,40) |
| InChIKey | UZEQXDQISQHSRF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Nithya_G_C1_2023 (CHEBI:195247) is a piperazines (CHEBI:26144) |