Details of Methyl digallate
| IUPAC | [(2R,3S,4R,5R,6S)-6-[4,10-dihydroxy-3,9-dimethoxy-6,12-dioxo-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]benzo[c][1,5]benzodioxocin-8-yl]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
| Canonical Smiles | COC1=C(C2=C(C=C1C3C(C(C(C(O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)C(=O)OC5=C(C=C(C(=C5O)OC)C6C(C(C(C(O6)COC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)O)C(=O)O2)O |
| Inchi | DXKGWDISVOGUDQ-XHWFIBSOSA-N |
| PubChem ID | 16681402 |
| Smiles | COc1c(C2OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C2O)cc2c(c1O)OC(=O)c1cc(C3OC(COC(=O)c4cc(O)c(O)c(O)c4)C(O)C(O)C3O)c(OC)c(O)c1OC2=O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COc1c%28C2OC%28COC%28%3DO%29c3cc%28O%29c%28O%29c%28O%29c3%29C%28O%29C%28O%29C2O%29cc2c%28c1O%29OC%28%3DO%29c1cc%28C3OC%28COC%28%3DO%29c4cc%28O%29c%28O%29c%28O%29c4%29C%28O%29C%28O%29C3O%29c%28OC%29c%28O%29c1OC2%3DO/file?format=sdf&get3d=True -- COc1c%28C2OC%28COC%28%3DO%29c3cc%28O%29c%28O%29c%28O%29c3%29C%28O%29C%28O%29C2O%29cc2c%28c1O%29OC%28%3DO%29c1cc%28C3OC%28COC%28%3DO%29c4cc%28O%29c%28O%29c%28O%29c4%29C%28O%29C%28O%29C3O%29c%28OC%29c%28O%29c1OC2%3DO could not be loaded.
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