RefMet Compound Details
MW structure | 34421 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Cucurbitacin S | |
Systematic name | (1S,2S,4R,6S,9S,10R,11R,14R,15R)-17-hydroxy-6-(2-hydroxypropan-2-yl)-2,9,11,14,19,19-hexamethyl-5-oxapentacyclo[12.8.0.02,11.04,10.015,20]docosa-16,20-diene-8,13,18-trione | |
SMILES | C[C@@H]1C(=O)C[C@@H](C(C)(C)O)O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(C(=O)C5(C)C)O)[C@]4(C)C(=O)C[C@]3(C)[C@@H]12 Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Sum Composition | ST 30:6;O6 | View other entries in RefMet with this sum composition |
Exact mass | 498.298140 (neutral) |