Details of THEAFLAVIN-3-GALLATE
| IUPAC | [(2S,3S)-5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-8-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-1-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate |
| Canonical Smiles | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC4=C(C(=C(C=C4C5C(CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)C(=O)C(=C3)O)O |
| Inchi | GPLOTACQBREROW-JKOJIDNYSA-N |
| PubChem ID | 136825044 |
| Smiles | O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c2c(=O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3O)cc12)c1cc(O)c(O)c(O)c1 |
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