RefMet Compound Details
MW structure | 34408 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Cucurbitacin A | |
Systematic name | [(6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate | |
SMILES | CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@@H](C(=O)C4(C)C)O)[C@]3(CO)C(=O)C[C@]12C)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Sum Composition | ST 32:6;O9 | View other entries in RefMet with this sum composition |
Exact mass | 574.314185 (neutral) |