RefMet Compound Details
MW structure | 68543 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Secologanate | |
Systematic name | (2S,3R,4S)-4-(2-oxoethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylic acid | |
SMILES | C=C[C@@H]1[C@H](CC=O)C(=CO[C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)C(=O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 374.121300 (neutral) |