RefMet Compound Details
MW structure | 70198 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Harrisonin | |
Systematic name | 4-[(E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-prop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carboxylic acid | |
SMILES | CC1(C)C(=O)[C@@]2([C@](C)(/C=C\C(=O)OC)[C@H]3CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@@H]5[C@@]4([C@]3(C)[C@]2(O)O1)O5)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 516.199550 (neutral) |