RefMet Compound Details
MW structure | 176020 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Sinulobatin A | |
Systematic name | [(1S,2R,3aS,4S,6R,6aS)-1,4-dimethyl-7-methylidene-6-(2-methylprop-1-enyl)-5-oxo-2,3,3a,4,6,6a,8,9-octahydro-1H-phenalen-2-yl] acetate | |
SMILES | CC(=C[C@H]1C(=C)[C@@H](C)[C@@H]2C[C@H]([C@@H](C)C3=C2[C@@H]1C(=C)CC3)OC(=O)C)C Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 342.219495 (neutral) |