RefMet Compound Details
MW structure | 68440 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Hellebrigenin 3-acetate | |
Systematic name | [(3S,5S,8R,9S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate | |
SMILES | CC(=O)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@H](CC[C@@]4([C@@H]3CC[C@@]2(C1)O)O)c1ccc(=O)oc1 Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 458.230455 (neutral) |