RefMet Compound Details
MW structure | 70431 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Grandidentatin | |
Systematic name | [(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[(1R,2S)-2-hydroxycyclohexoxy]-6-(hydroxymethyl)tetrahydropyran-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate | |
SMILES | C1CC[C@H]([C@H](C1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)OC(=O)/C=C/c1ccc(cc1)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 424.173335 (neutral) |