RefMet Compound Details
MW structure | 52739 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Verrucarin A | |
Systematic name | (4S,5R,10E,12Z,16R,16aS,17S,18R,19aR,23aR)-4-hydroxy-5,16a,21-trimethyl-4,5,6,7,16,16a,22,23-octahydro-3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d]chromene-17,2'-oxirane]-3,9,14-trione | |
SMILES | CC1=C[C@@H]2[C@@]3(CC1)COC(=O)[C@H]([C@H](C)CCOC(=O)/C=C/C=C\C(=O)O[C@@H]1C[C@H]([C@@]4(CO4)[C@@]31C)O2)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 502.220285 (neutral) |