RefMet Compound Details
MW structure | 69521 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Paeonolide | |
Systematic name | 1-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-phenyl]ethanone | |
SMILES | CC(=O)c1ccc(cc1O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO[C@H]2[C@@H]([C@H]([C@H](CO2)O)O)O)O1)O)O)O)OC Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 460.158080 (neutral) |