RefMet Compound Details
MW structure | 68048 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Isobrucein B | |
Systematic name | 5-hydroxy-6-(4-hydroxy-2-methyl-5,8-dioxo-1-naphthyl)-7-methyl-naphthalene-1,4-dione | |
SMILES | CC1=CC(=O)[C@H]([C@@]2(C)[C@H]1C[C@@H]1[C@]34CO[C@@]([C@@H]4[C@H](C(=O)O1)OC(=O)C)([C@H]([C@@H]([C@H]23)O)O)C(=O)OC)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 480.163165 (neutral) |