RefMet Compound Details
MW structure | 51597 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Digitalin | |
Systematic name | 3beta-(4-O-beta-D-Glucopyranosyl-3-O-methyl-6-deoxy-beta-D-galactopyranosyloxy)-14,16beta-dihydroxy-5beta-card-20(22)-enolide | |
SMILES | CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)[C@@H](O)C[C@]43O)C2)O[C@H](C)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 712.367010 (neutral) |