RefMet Compound Details
MW structure | 34472 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | 2-Deoxyecdysone | |
Systematic name | (22R)-3beta,14,22,25-tetrahydroxy-5beta-cholest-7-en-6-one | |
SMILES | C[C@@H]([C@H]1CC[C@]2(C3=CC(=O)[C@@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O)O)[C@@H](CCC(C)(C)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Sum Composition | ST 27:2;O5 | View other entries in RefMet with this sum composition |
Exact mass | 448.318875 (neutral) |