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EVODEX.1-R4959

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
201118 ferulate + pentanol = pentanyl ferulate + H2O {r} False Aspergillus niger nan 3.1.1.73

Derived Partial Reactions

EVODEX.1-P4118

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

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