RefMet Compound Details
MW structure | 68289 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Haemocorin | |
Systematic name | 1H-Phenalen-1-one, 2-[(4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-6-hydroxy-5-methoxy-9-phenyl- | |
SMILES | COc1cc2C=C(C(=O)c3c(ccc(c23)c1O)c1ccccc1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 642.194860 (neutral) |