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InChIKey | QJYNZEYHSMRWBK-NIKIMHBISA-M |
InChI | InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/p-1/t27-,33-,34+,35-,41+/m1/s1 |
SMILES | Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c([O-])c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1 |
#reac | |
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Distinct reactions in my sandbox | 0 |
Distinct generic reactions in MNXref | 11 |
Distinct compatimentalized reactions in models | 0 |
Identifier | Description |
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seedM:cpd02785 | Pentagalloyl-beta-D-glucose 1,2,3,4,6-Pentakis-O-galloyl-beta-D-glucose 1,2,3,4,6-pentagalloylglucose 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose Pentagalloylglucose |
chebi:18082 | 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose 1,2,3,4,6-Pentakis-O-galloyl-beta-D-glucose 1,2,3,4,6-Pgg 1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose Pentagalloyl-beta-D-glucose Pentagalloylglucose beta-D-glucopyranose pentakis(3,4,5-trihydroxybenzoate) |
chebi:11132 chebi:18854 chebi:477 keggC:M_C04576 seedM:M_cpd02785 | secondary/obsolete/fantasy identifier |
keggC:C04576 | Pentagalloylglucose 1,2,3,4,6-Pentakis-O-galloyl-beta-D-glucose Pentagalloyl-beta-D-glucose |
metacycM:12346-PENTAKIS-O-GALLOYL-BETA-D-GLUC | 1,2,3,4,6-pentagalloylglucose 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose |
chebi:145902 | 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose(1-) |
MNXM93770 | is deprecated and replaced by this entry |