RefMet Compound Details
MW structure | 28058 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Aucubin | |
Systematic name | (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol | |
SMILES | C1=CO[C@H]([C@@H]2C(=C[C@H]([C@H]12)O)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 346.126385 (neutral) |