RefMet Compound Details
MW structure | 34413 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Cucurbitacin F | |
Systematic name | (2S,3S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one | |
SMILES | CC(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@H](C4(C)C)O)O)[C@]3(C)C(=O)C[C@]12C)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Sum Composition | ST 30:4;O7 | View other entries in RefMet with this sum composition |
Exact mass | 518.324355 (neutral) |