EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C24H19F3O4 |
| Net Charge | 0 |
| Average Mass | 428.406 |
| Monoisotopic Mass | 428.12354 |
| SMILES | O=C(O)c1ccc(C(F)(F)F)cc1-c1ccc2c(c1)OC[C@H](Cc1ccccc1)[C@H]2O |
| InChI | InChI=1S/C24H19F3O4/c25-24(26,27)17-7-9-18(23(29)30)20(12-17)15-6-8-19-21(11-15)31-13-16(22(19)28)10-14-4-2-1-3-5-14/h1-9,11-12,16,22,28H,10,13H2,(H,29,30)/t16-,22+/m0/s1 |
| InChIKey | NZQDWKCNBOELAI-KSFYIVLOSA-N |
| Roles Classification |
|---|
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| Application: | antirheumatic drug A drug used to treat rheumatoid arthritis. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cp-195543 (CHEBI:748227) has role antirheumatic drug (CHEBI:35842) |
| cp-195543 (CHEBI:748227) is a diarylheptanoid (CHEBI:78802) |
| Synonyms | Source |
|---|---|
| Cp-195543 | ChEMBL |
| CP-195,543 | ChEMBL |
| Citations |
|---|