RefMet Compound Details
MW structure | 50020 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Quassimarin | |
Systematic name | (1beta,11beta,12alpha,15beta)-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-15-yl (2R)-2-(acetyloxy)-2-methylbutanoate | |
SMILES | CC[C@](C)(C(=O)O[C@@H]1[C@H]2[C@]3(C)[C@H]([C@@H]([C@@H]4[C@]5(C)[C@@H](C[C@H]([C@@]24CO3)OC1=O)C(=CC(=O)[C@H]5O)C)O)O)OC(=O)C Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 536.225765 (neutral) |