RefMet Compound Details
MW structure | 68896 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Septentriodine | |
Systematic name | (2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromenylium-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol | |
SMILES | CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]5C[C@@H]6[C@H](C[C@@]([C@H]5[C@H]6OC)([C@@]([C@H]([C@H]23)OC)(C14)O)O)OC)OC)COC(=O)c1ccccc1NC(=O)CCC(=O)OC Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 700.357113 (neutral) |