RefMet Compound Details
MW structure | 68984 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Vernadigin | |
Systematic name | (3S,5S,8R,9S,10S,13R,14S,16S,17R)-5,14,16-trihydroxy-3-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde | |
SMILES | C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@@H](C5=CC(=O)OC5)[C@H](C[C@@]4([C@@H]3CC[C@@]2(C1)O)O)O)OC)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 564.293450 (neutral) |