RefMet Compound Details
MW structure | 22849 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Glyceollin I | |
Systematic name | (2S,10S)-17,17-dimethyl-3,12,18-trioxapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1(13),4(9),5,7,14(19),15,20-heptaene-6,10-diol | |
SMILES | CC1(C)C=Cc2c(ccc3c2OC[C@]2(c4ccc(cc4O[C@@H]32)O)O)O1 Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 338.115425 (neutral) |