RefMet Compound Details
MW structure | 68933 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Malvin | |
Systematic name | 3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenium-5-yl beta-D-glucopyranoside | |
SMILES | COc1cc(cc(c1O)OC)c1c(cc2c(cc(cc2O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)O)[o+]1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 655.187430 (neutral) |