RefMet Compound Details
MW structure | 53209 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Grayanotoxin I | |
Systematic name | (14R)-3beta,5,6beta,10,16-pentahydroxygrayanotoxan-14-yl acetate | |
SMILES | CC(=O)O[C@@H]1[C@H]2CC[C@H]3[C@](C)([C@@H]4C[C@@H](C(C)(C)[C@]4([C@@H](C[C@@]13C[C@@]2(C)O)O)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 412.246104 (neutral) |