RefMet Compound Details
MW structure | 28057 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Deoxyloganin | |
Systematic name | methyl (1S,4aS,7S,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylate | |
SMILES | C[C@H]1CC[C@@H]2C(=CO[C@H]([C@H]12)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)C(=O)OC Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 374.157685 (neutral) |