RefMet Compound Details
MW structure | 70145 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Triglochinin | |
Systematic name | (Z,4E)-4-[cyano-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-methylene]hex-2-enedioic acid | |
SMILES | C(=C\C(=O)O)\C(=C(/C#N)\O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)\CC(=O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 359.085249 (neutral) |