RefMet Compound Details
MW structure | 28736 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Quassin | |
Systematic name | (1S,2S,6S,7S,9R,13R,17S)-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,11,16-trione | |
SMILES | C[C@@H]1C=C(C(=O)[C@@]2(C)[C@H]1C[C@@H]1[C@@]3(C)[C@@H](CC(=O)O1)C(=C(C(=O)[C@H]23)OC)C)OC Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 388.188590 (neutral) |