RefMet Compound Details
MW structure | 68970 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Decoside | |
Systematic name | 3-[(3S,5R,8R,10S,13R,14S,17R)-11,14-dihydroxy-3-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one | |
SMILES | C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]1CC[C@@]2(C)C(CCC3C2=C(C(=O)[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)O)C1)OC)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 546.282883 (neutral) |