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EVODEX.1-R4796

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[O:2]=[C:3]([O:4][C@:5]1([H:34])[C:6]([H:35])([H:36])[C:7]2:[C:8]([O:9][H:37]):[C:10]([H:38]):[C:11]([O:12][H:39]):[C:13]([H:40]):[C:14]:2[O:15][C@@:16]1([C:17]1:[C:18]([H:41]):[C:19]([H:42]):[C:20]([O:21][H:43]):[C:22]([O:23][H:44]):[C:24]:1[H:45])[H:46])[C:25]1:[C:26]([H:47]):[C:27]([O:28][H:48]):[C:29]([O:30][H:49]):[C:31]([O:32][H:50]):[C:33]:1[H:51].[H][O:1][H:52]>>[O:1]([C:3](=[O:2])[C:25]1:[C:26]([H:47]):[C:27]([O:28][H:48]):[C:29]([O:30][H:49]):[C:31]([O:32][H:50]):[C:33]:1[H:51])[H:52].[H][O:4][C@:5]1([H:34])[C:6]([H:35])([H:36])[C:7]2:[C:8]([O:9][H:37]):[C:10]([H:38]):[C:11]([O:12][H:39]):[C:13]([H:40]):[C:14]:2[O:15][C@@:16]1([C:17]1:[C:18]([H:41]):[C:19]([H:42]):[C:20]([O:21][H:43]):[C:22]([O:23][H:44]):[C:24]:1[H:45])[H:46]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
195705 (-)-epicatechin gallate + H2O = (-)-epicatechin + gallic acid True Aspergillus oryzae Q2UII1 uniprot 3.1.1.20

Derived Partial Reactions

EVODEX.1-P3945

[O:2]=[C:3]([O:4][C@:5]1([H:34])[C:6]([H:35])([H:36])[C:7]2:[C:8]([O:9][H:37]):[C:10]([H:38]):[C:11]([O:12][H:39]):[C:13]([H:40]):[C:14]:2[O:15][C@@:16]1([C:17]1:[C:18]([H:41]):[C:19]([H:42]):[C:20]([O:21][H:43]):[C:22]([O:23][H:44]):[C:24]:1[H:45])[H:46])[C:25]1:[C:26]([H:47]):[C:27]([O:28][H:48]):[C:29]([O:30][H:49]):[C:31]([O:32][H:50]):[C:33]:1[H:51].[H][O:1][H:52]>>[O:1]([C:3](=[O:2])[C:25]1:[C:26]([H:47]):[C:27]([O:28][H:48]):[C:29]([O:30][H:49]):[C:31]([O:32][H:50]):[C:33]:1[H:51])[H:52].[H][O:4][C@:5]1([H:34])[C:6]([H:35])([H:36])[C:7]2:[C:8]([O:9][H:37]):[C:10]([H:38]):[C:11]([O:12][H:39]):[C:13]([H:40]):[C:14]:2[O:15][C@@:16]1([C:17]1:[C:18]([H:41]):[C:19]([H:42]):[C:20]([O:21][H:43]):[C:22]([O:23][H:44]):[C:24]:1[H:45])[H:46]

[O:2]=[C:3]([O:4][C@:5]1([H:34])[C:6]([H:35])([H:36])[C:7]2:[C:8]([O:9][H:37]):[C:10]([H:38]):[C:11]([O:12][H:39]):[C:13]([H:40]):[C:14]:2[O:15][C@@:16]1([C:17]1:[C:18]([H:41]):[C:19]([H:42]):[C:20]([O:21][H:43]):[C:22]([O:23][H:44]):[C:24]:1[H:45])[H:46])[C:25]1:[C:26]([H:47]):[C:27]([O:28][H:48]):[C:29]([O:30][H:49]):[C:31]([O:32][H:50]):[C:33]:1[H:51].[H][O:1][H:52]>>[O:1]([C:3](=[O:2])[C:25]1:[C:26]([H:47]):[C:27]([O:28][H:48]):[C:29]([O:30][H:49]):[C:31]([O:32][H:50]):[C:33]:1[H:51])[H:52].[H][O:4][C@:5]1([H:34])[C:6]([H:35])([H:36])[C:7]2:[C:8]([O:9][H:37]):[C:10]([H:38]):[C:11]([O:12][H:39]):[C:13]([H:40]):[C:14]:2[O:15][C@@:16]1([C:17]1:[C:18]([H:41]):[C:19]([H:42]):[C:20]([O:21][H:43]):[C:22]([O:23][H:44]):[C:24]:1[H:45])[H:46]