RefMet Compound Details
MW structure | 36164 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | 25-Hydroxy[26,27-methyl]vitamin D3 3beta-(1,2-epoxypropyl)ether | |
Systematic name | (5Z,7E)-25-hydroxy-9,10-seco-5,7,10(19)-cholestatrien 3R-(1,2-epoxy-propyl)ether | |
SMILES | C=C1CC[C@@H](C/C/1=C/C=C/1\CCC[C@]2(C)[C@H](CC[C@@H]12)[C@H](C)CCCC(C)(C)O)OC1CO1 Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 442.344695 (neutral) |