RefMet Compound Details
MW structure | 78569 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Vitamin D2 3-glucuronide | |
Systematic name | (3beta,5Z,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraen-3-yl-beta-D-Glucopyranosiduronic acid | |
SMILES | CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@@H](CCC3=C)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O3)O)O)O)/CCC[C@]12C Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 572.371305 (neutral) |