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EVODEX.1-R4767

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
193469 beta-naphthyl caproate + H2O = beta-naphthol + caproate False Burkholderia gladioli Q9LAB8 swissprot 3.1.1.1

Derived Partial Reactions

EVODEX.1-P3911

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

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

EVODEX.1-P3912

[H]C1:C([H]):C([H]):C2:C([H]):C(O[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:35])([H:36])[H:37])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])([H:27])[H:28])=[O:7]):C([H]):C([H]):C:2:C:1[H].[H][O:19][H:38]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[O:19][H:38])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])([H:36])[H:37]

[H]C1:C([H]):C([H]):C2:C([H]):C(O[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:35])([H:36])[H:37])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])([H:27])[H:28])=[O:7]):C([H]):C([H]):C:2:C:1[H].[H][O:19][H:38]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[O:19][H:38])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])([H:36])[H:37]