RefMet Compound Details
MW structure | 68882 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Papyriferic acid | |
Systematic name | 3-[[(3R,5R,8R,9R,10R,12R,13R,14R,17S)-12-acetoxy-17-[(2S,5R)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxo-propanoic acid | |
SMILES | CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@@H]([C@@H]12)[C@]1(C)CC[C@H](C(C)(C)O)O1)OC(=O)CC(=O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 604.397520 (neutral) |