Showing chemical card for 4,5,5',6,6'-pentahydroxy-4'-[2,3,4-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)phenoxy]-[1,1'-biphenyl]-2,2'-dicarboxylic acid (CFc000116497)
4,5,5',6,6'-pentahydroxy-4'-[2,3,4-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)phenoxy]-[1,1'-biphenyl]-2,2'-dicarboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 4-{6-[({21-[6-({[3,4,5,21,22,23-hexahydroxy-8,18-dioxo-11,12-bis(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2,4,6,19,21-hexaen-13-yl]oxy}carbonyl)-2,3,4-trihydroxyphenoxy]-3,4,5,11,12,22,23-heptahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2,4,6,19,21-hexaen-13-yl}oxy)carbonyl]-2,3,4-trihydroxyphenoxy}-4',5,5',6,6'-pentahydroxy-[1,1'-biphenyl]-2,2'-dicarboxylic acid. It is generated by EC.3.1.1.20 enzyme via a hydrolysis-of-glycosylated-condensed-galloyl-groups-pattern1 reaction. This hydrolysis-of-glycosylated-condensed-galloyl-groups-pattern1 occurs in human gut microbiota.
MOL for CFc000116497 (4,5,5',6,6'-pentahydroxy-4'-[2,3,4-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)phenoxy]-[1,1'-biphenyl]-2,2'-dicarboxylic acid)
3D MOL for CFc000116497 (4,5,5',6,6'-pentahydroxy-4'-[2,3,4-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)phenoxy]-[1,1'-biphenyl]-2,2'-dicarboxylic acid)
3D SDF for CFc000116497 (4,5,5',6,6'-pentahydroxy-4'-[2,3,4-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)phenoxy]-[1,1'-biphenyl]-2,2'-dicarboxylic acid)
3D-SDF for CFc000116497 (4,5,5',6,6'-pentahydroxy-4'-[2,3,4-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)phenoxy]-[1,1'-biphenyl]-2,2'-dicarboxylic acid)
PDB for CFc000116497 (4,5,5',6,6'-pentahydroxy-4'-[2,3,4-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)phenoxy]-[1,1'-biphenyl]-2,2'-dicarboxylic acid)
3D PDB for CFc000116497 (4,5,5',6,6'-pentahydroxy-4'-[2,3,4-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)phenoxy]-[1,1'-biphenyl]-2,2'-dicarboxylic acid)
SMILES for CFc000116497 (4,5,5',6,6'-pentahydroxy-4'-[2,3,4-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)phenoxy]-[1,1'-biphenyl]-2,2'-dicarboxylic acid)
INCHI for CFc000116497 (4,5,5',6,6'-pentahydroxy-4'-[2,3,4-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)phenoxy]-[1,1'-biphenyl]-2,2'-dicarboxylic acid)
Structure for CFc000116497 (4,5,5',6,6'-pentahydroxy-4'-[2,3,4-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)phenoxy]-[1,1'-biphenyl]-2,2'-dicarboxylic acid)
3D Structure for CFc000116497 (4,5,5',6,6'-pentahydroxy-4'-[2,3,4-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)phenoxy]-[1,1'-biphenyl]-2,2'-dicarboxylic acid)
Belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit.
