RefMet Compound Details
MW structure | 69763 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Demethylalangiside | |
Systematic name | (11S,12R,12aS,13aR)-12-ethenyl-11-(beta-D-glucopyranosyloxy)-5,11,12,12a,13,13a-hexahydro-2,3-dihydroxy-6H,8H-Benzo[a]pyrano[3,4-g]quinolizin-8-one | |
SMILES | C=C[C@@H]1[C@@H]2C[C@@H]3c4cc(c(cc4CCN3C(=O)C2=CO[C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 491.179149 (neutral) |