RefMet Compound Details
MW structure | 36162 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | ZK 168281 | |
Systematic name | (5Z,7E,22E)-(1S,3R,24R)-25-(carboethoxy-methylene)-26,26-cyclo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol | |
SMILES | CCOC(=O)/C=C/C1(CC1)[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@H](C[C@@H](C3=C)O)O)/CCC[C@]12C)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 510.334526 (neutral) |