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EVODEX.1-R4912

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([N+:2]([C:3]([H:20])([H:21])[H:22])([C:4]([H:23])([H:24])[H:25])[C:5]([C:6]([O:7][C:8](=[O:9])[C:10](=[C:11]([C:12]1:[C:13]([H:26]):[C:14]([H:27]):[C:15]([O:16][H:28]):[C:17]([H:29]):[C:18]:1[H:30])[H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])([H:38])[H:39].[H][O:19][H:40]>>[C:1]([N+:2]([C:3]([H:20])([H:21])[H:22])([C:4]([H:23])([H:24])[H:25])[C:5]([C:6]([O:19][H:40])([H:33])[H:34])([H:35])[H:36])([H:37])([H:38])[H:39].[H][O:7][C:8](=[O:9])[C:10](=[C:11]([C:12]1:[C:13]([H:26]):[C:14]([H:27]):[C:15]([O:16][H:28]):[C:17]([H:29]):[C:18]:1[H:30])[H:31])[H:32]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
198996 4-coumaroylcholine + H2O = coumaric acid + choline False Brassica napus Q3ZFI4 swissprot 3.1.1.49

Derived Partial Reactions

EVODEX.1-P2093

[H]OC1:C([H]):C([H]):C(C([H])=C([H])C(=O)[O:7][C:6]([C:5]([N+:2]([C:1]([H:48])([H:49])[H:50])([C:3]([H:31])([H:32])[H:33])[C:4]([H:34])([H:35])[H:36])([H:46])[H:47])([H:44])[H:45]):C([H]):C:1[H]>>[H][O:7][C:6]([C:5]([N+:2]([C:1]([H:48])([H:49])[H:50])([C:3]([H:31])([H:32])[H:33])[C:4]([H:34])([H:35])[H:36])([H:46])[H:47])([H:44])[H:45]

[H]OC1:C([H]):C([H]):C(C([H])=C([H])C(=O)[O:7][C:6]([C:5]([N+:2]([C:1]([H:48])([H:49])[H:50])([C:3]([H:31])([H:32])[H:33])[C:4]([H:34])([H:35])[H:36])([H:46])[H:47])([H:44])[H:45]):C([H]):C:1[H]>>[H][O:7][C:6]([C:5]([N+:2]([C:1]([H:48])([H:49])[H:50])([C:3]([H:31])([H:32])[H:33])[C:4]([H:34])([H:35])[H:36])([H:46])[H:47])([H:44])[H:45]