Details of Theaflavin-3- O-gallate
| IUPAC | [(2R,3R)-2-[1,2-dihydroxy-9-oxo-4-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-5,6,7,8-tetrahydrobenzo[7]annulen-6-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate |
| Canonical Smiles | C1CC(=O)C2=C(CC1C3C(CC4=C(C=C(C=C4O3)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)C(=CC(=C2O)O)C6C(CC7=C(C=C(C=C7O6)O)O)O |
| Inchi | ODDFMQLXQNKFDP-TVKYVOJTSA-N |
| PubChem ID | 71307578 |
| Smiles | O=C(OC1Cc2c(O)cc(O)cc2OC1C1CCC(=O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3O)c2C1)c1cc(O)c(O)c(O)c1 |
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