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InChIKey | LYGRISUQIZNHGM-IVABAYMNSA-N |
InChI | InChI=1S/C20H20O14/c21-8-1-6(2-9(22)13(8)25)18(30)32-5-12-15(27)16(28)17(29)20(33-12)34-19(31)7-3-10(23)14(26)11(24)4-7/h1-4,12,15-17,20-29H,5H2/t12-,15-,16+,17-,20+/m1/s1 |
SMILES | O[C@H]1[C@H](O)[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1O |
#reac | |
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Distinct reactions in my sandbox | 0 |
Distinct generic reactions in MNXref | 6 |
Distinct compatimentalized reactions in models | 0 |
Identifier | Description |
---|---|
chebi:15723 | 1,6-bis-O-galloyl-beta-D-glucose 1,6-bis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose 1-O,6-O-Digalloyl-beta-D-glucose 1-O,6-O-digalloyl-beta-D-glucose |
keggC:C04101 | 1-O,6-O-Digalloyl-beta-D-glucose |
chebi:11211 chebi:18977 chebi:650 keggC:M_C04101 seedM:M_cpd02532 | secondary/obsolete/fantasy identifier |
metacycM:1-O6-O-DIGALLOYL-BETA-D-GLUCOSE | 1-O,6-O-digalloyl-beta-D-glucose 3,4,5-trihydroxybenzoic acid [3,4,5-trihydroxy-6-(3,4,5- trihydroxybenzoyl)oxy-tetrahydropyran-2-yl]methyl ester |
seedM:cpd02532 | 1-O,6-O-Digalloyl-beta-D-glucose 1-O,6-O-digalloyl-beta-D-glucose 3,4,5-trihydroxybenzoic acid [3,4,5-trihydroxy-6-(3,4,5- trihydroxybenzoyl)oxy-tetrahydropyran-2-yl]methyl ester |