RefMet Compound Details
MW structure | 21312 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Epothilone A | |
Systematic name | (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione | |
SMILES | C[C@H]1CCC[C@@H]2[C@H](C[C@@H](/C(=C/c3csc(C)n3)/C)OC(=O)C[C@@H](C(C)(C)C(=O)[C@H](C)[C@H]1O)O)O2 Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 493.249811 (neutral) |