RefMet Compound Details
MW structure | 69026 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Ilexolide A | |
Systematic name | (2S,4aS,6aR,6aS,6bR,8aR,10S,12aR)-10-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13-dodecahydro-2H-picene-4a-carboxylic acid | |
SMILES | C[C@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](C(C)(C)[C@@H]5CC[C@@]34C)O[C@H]3[C@@H]([C@H]([C@@H](CO)O3)O)O)C2=C1C)C(=O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 586.386954 (neutral) |