RefMet Compound Details
MW structure | 50361 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Limonin 17-beta-D-glucoside | |
Systematic name | (3'S,4aS,6aR,8aR,9R,10S,12aR,12bR)-10-[(R)-furan-3-yl(beta-D-glucopyranosyloxy)methyl]-6,6,8a,10-tetramethyl-3,8-dioxodecahydro-3H,6H-spiro[naphtho[1',2':3,4]furo[3,2-c]pyran-9,2'-oxirane]-3'-carboxylic acid | |
SMILES | CC1(C)[C@@H]2CC(=O)[C@]3(C)[C@H](CC[C@@](C)([C@H](c4ccoc4)O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](CO)O4)O)O)O)[C@@]43[C@@H](C(=O)O)O4)[C@@]32COC(=O)C[C@@H]3O1 Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 650.257460 (neutral) |