RefMet Compound Details
MW structure | 68968 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Cerbertin | |
Systematic name | (3ß,5ß,11a,12a)-3-[(2-O-Acetyl-6-deoxy-3-O-methyl-a-L-glucopyranosyl)oxy]-14-hydroxy-11,12-epoxycard-20(22)-enolide | |
SMILES | C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]1CC[C@@]2(C=O)[C@H](CC[C@@H]3[C@@H]2[C@H]2[C@@H]([C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)O2)C1)OC(=O)C)OC)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 604.288365 (neutral) |