RefMet Compound Details
MW structure | 28062 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Harpagoside | |
Systematic name | [(1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-phenylprop-2-enoate | |
SMILES | C[C@@]1(C[C@H]([C@@]2(C=CO[C@H]([C@H]12)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O)OC(=O)/C=C/c1ccccc1 Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 494.178815 (neutral) |