RefMet Compound Details
MW structure | 70364 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Gambogic acid | |
Systematic name | (Z)-4-[(2S,8R)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid | |
SMILES | CC(=CCC[C@]1(C)C=Cc2c(c3C(=O)C4=CC5CC6C(C)(C)OC(C/C=C(/C)\C(=O)O)(C5=O)[C@@]46Oc3c(CC=C(C)C)c2O1)O)C Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 628.303620 (neutral) |