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EVODEX.1-R281

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[O:1]=[O:2].[O:3]([C:4]1:[C:5]([H:17]):[C:6]([H:18]):[C:7]([H:19]):[C:8]([C:9]2:[C:10]([H:20]):[C:11]([H:21]):[C:12]([H:22]):[C:13]([H:23]):[C:14]:2[H:24]):[C:15]:1[O:16][H:25])[H:26]>>[O:1]=[C:4]([O:3][H:26])[C:15](=[C:8]([C:7](=[C:6]([C:5](=[O:2])[H:17])[H:18])[H:19])[C:9]1:[C:10]([H:20]):[C:11]([H:21]):[C:12]([H:22]):[C:13]([H:23]):[C:14]:1[H:24])[O:16][H:25]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
39810 3-phenylcatechol + O2 = 2-hydroxy-3-phenylmuconate semialdehyde False Pseudomonas putida P06622 uniprot 1.13.11.2

Derived Partial Reactions

EVODEX.1-P240

[O:3]([C:4]1:[C:5]([H:17]):[C:6]([H:18]):[C:7]([H:19]):[C:8]([C:9]2:[C:10]([H:20]):[C:11]([H:21]):[C:12]([H:22]):[C:13]([H:23]):[C:14]:2[H:24]):[C:15]:1[O:16][H:25])[H:26]>>O=[C:4]([O:3][H:26])[C:15](=[C:8]([C:7](=[C:6]([C:5](=O)[H:17])[H:18])[H:19])[C:9]1:[C:10]([H:20]):[C:11]([H:21]):[C:12]([H:22]):[C:13]([H:23]):[C:14]:1[H:24])[O:16][H:25]

[O:3]([C:4]1:[C:5]([H:17]):[C:6]([H:18]):[C:7]([H:19]):[C:8]([C:9]2:[C:10]([H:20]):[C:11]([H:21]):[C:12]([H:22]):[C:13]([H:23]):[C:14]:2[H:24]):[C:15]:1[O:16][H:25])[H:26]>>O=[C:4]([O:3][H:26])[C:15](=[C:8]([C:7](=[C:6]([C:5](=O)[H:17])[H:18])[H:19])[C:9]1:[C:10]([H:20]):[C:11]([H:21]):[C:12]([H:22]):[C:13]([H:23]):[C:14]:1[H:24])[O:16][H:25]