RefMet Compound Details
MW structure | 72206 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Gymnemic acid I | |
Systematic name | (3beta,4alpha,16beta,21beta,22alpha)-21-tigloxy-28-acetoxy-16,22,23-trihydroxyolean-12-en-3-yl-beta D-glucopyranosiduronic acid | |
SMILES | C/C=C(\C)/C(=O)O[C@H]1[C@@H]([C@@]2(COC(=O)C)[C@@H](CC1(C)C)C1=CC[C@@H]3[C@@]4(C)CC[C@@H]([C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@@H]2O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O1)O)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 806.445260 (neutral) |