RefMet Compound Details
MW structure | 28055 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Secologanin | |
Systematic name | methyl (4S,5R,6S)-5-ethenyl-4-(2-oxoethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-4H-pyran-3-carboxylate | |
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)OC Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 388.136950 (neutral) |