RefMet Compound Details
MW structure | 38511 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Nivalenol | |
Systematic name | (1'S,2R,2'R,3'S,7'R,9'R,10'R,11'S)-3',10',11'-trihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-4'-one | |
SMILES | CC1=C[C@@H]2[C@](CO)([C@@H](C1=O)O)[C@@]1(C)[C@@H]([C@H]([C@H]([C@@]31CO3)O2)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 312.120903 (neutral) |