RefMet Compound Details
MW structure | 69042 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Spinasaponin A | |
Systematic name | [(3ß)-17-Carboxy-28-norolean-12-en-3-yl]3-O-ß-D-glucopyranosyl-ß-D-glucopyranosiduronic acid | |
SMILES | CC1(C)CC[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]([C@@H](C(=O)O)O3)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O)O)O)O)C2C1)C(=O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 794.445260 (neutral) |