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EVODEX.1-R4960

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

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-P4119

[H]OC1:C([H]):C([H]):C(C([H])=C([H])C(=O)O[C:5]([C:4]([C:3]([C:2]([C:1]([H:38])([H:39])[H:40])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31]):C([H]):C:1OC([H])([H])[H]>>[H]O[C:5]([C:4]([C:3]([C:2]([C:1]([H:38])([H:39])[H:40])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31]

[H]OC1:C([H]):C([H]):C(C([H])=C([H])C(=O)O[C:5]([C:4]([C:3]([C:2]([C:1]([H:38])([H:39])[H:40])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31]):C([H]):C:1OC([H])([H])[H]>>[H]O[C:5]([C:4]([C:3]([C:2]([C:1]([H:38])([H:39])[H:40])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31]