RefMet Compound Details
MW structure | 34414 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Cucurbitacin H | |
Systematic name | (2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-[(2R)-2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl]-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione | |
SMILES | CC1(C)C2=CC[C@H]3[C@]4(C)C[C@H]([C@@H]([C@@]4(C)CC(=O)[C@@]3(C)[C@@H]2C[C@@H](C1=O)O)[C@](C)(C(=O)CC(C(C)(C)O)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Sum Composition | ST 30:4;O8 | View other entries in RefMet with this sum composition |
Exact mass | 534.319270 (neutral) |