RefMet Compound Details
MW structure | 62862 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Ixabepilone | |
Systematic name | (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione | |
SMILES | C[C@H]1CCC[C@]2(C)[C@H](C[C@@H](/C(=C/c3csc(C)n3)/C)NC(=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 | 506.281443 (neutral) |