RefMet Compound Details
MW structure | 51190 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Isoscoparin | |
Systematic name | (1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol | |
SMILES | COc1cc(ccc1O)c1cc(=O)c2c(cc(c(c2O)[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)O)o1 Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 462.116215 (neutral) |