RefMet Compound Details
MW structure | 68966 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Bryotoxin A | |
Systematic name | [(2S,3S,4R,6R)-2-[[(3S,5S,8R,9S,10S,11S,13R,14S,17R)-10-formyl-5,11,14-trihydroxy-13-methyl-12-oxo-17-(6-oxopyran-3-yl)-1,2,3,4,6,7,8,9,11,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-6-methyl-tetrahydropyran-4-yl] acetate | |
SMILES | C[C@@H]1C[C@H]([C@@H]([C@@H](O1)O[C@H]1CC[C@]2(C=O)[C@@H]3[C@@H](CC[C@@]2(C1)O)[C@]1(CC[C@H](c2ccc(=O)oc2)[C@@]1(C)C(=O)[C@H]3O)O)O)OC(=O)C Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 618.267630 (neutral) |