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EVODEX.1-R277

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
39746 3,5-dimethylcatechol + O2 = 2-hydroxy-3,5-dimethyl-6-oxohexa-2,4-dienoic acid False Pseudomonas stutzeri nan 1.13.11.2

Derived Partial Reactions

EVODEX.1-P236

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

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