RefMet Compound Details
MW structure | 43324 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Ouabain | |
Systematic name | 3-(alpha-L-rhamnopyranosyloxy)-1beta,5beta,11alpha,14,19-pentahydroxy-5beta-card-20(22)-enolide | |
SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]1C[C@H]([C@]2(CO)[C@@H]3[C@@H](CC[C@@]2(C1)O)[C@]1(CC[C@H](C2=CC(=O)OC2)[C@@]1(C)C[C@H]3O)O)O)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 584.283280 (neutral) |