Details of Theogallin
| IUPAC | (1S,3R,4R,5R)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid |
| Canonical Smiles | C1C(C(C(CC1(C(=O)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)O)O |
| Inchi | LDPLFHGGZNSKDS-FTBFGRRBSA-N |
| PubChem ID | 442988 |
| Smiles | O=C(OC1CC(O)(C(=O)O)CC(O)C1O)c1cc(O)c(O)c(O)c1 |
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