RefMet Compound Details
MW structure | 72222 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Quillaic acid | |
Systematic name | (3beta,16alpha)-3,16-dihydroxy-23-oxoolean-12-en-28-oic acid | |
SMILES | CC1(C)CC[C@]2([C@@H](C1)C1=CC[C@@H]3[C@@]4(C)CC[C@@H]([C@@](C)(C=O)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@H]2O)O)C(=O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 486.334525 (neutral) |