RefMet Compound Details
MW structure | 69313 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Scandoside methyl ester | |
Systematic name | methyl (1S,4aS,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate | |
SMILES | COC(=O)C1=CO[C@H](C2C(=C[C@H](C12)O)CO)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 | 404.131862 (neutral) |