RefMet Compound Details
MW structure | 69765 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Isoalangiside | |
Systematic name | (11S)-2-Hydroxy-3-methoxy-11beta-(beta-D-glucopyranosyloxy)-12alpha-vinyl-5,11,12,12abeta,13,13aalpha-hexahydro-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)OC)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 505.194799 (neutral) |