RefMet Compound Details
MW structure | 68963 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | alpha-Antiarin | |
Systematic name | (3S,5S,8R,9S,10S,12R,13S,14S,17R)-5,12,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde | |
SMILES | C[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]1CC[C@]2(C=O)[C@H]3C[C@H]([C@]4(C)[C@H](CC[C@@]4(C3CC[C@@]2(C1)O)O)C1=CC(=O)OC1)O)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 566.272712 (neutral) |