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EVODEX.1-R4991

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C:2](=[O:3])[O:4][C:5]([C:6]([C@:7]([C:8]([O:9][H:31])([H:32])[H:33])([C:10]1:[C:11]([O:12][H:34]):[C:13]([H:35]):[C:14]2:[C:15](:[C:16]:1[O:17][H:36])[C:18](=[O:19])[C:20]1:[C:21]([O:22][H:37]):[C:23]([H:38]):[C:24]([O:25][H:39]):[C:26]([H:40]):[C:27]:1[C:28]2=[O:29])[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])([H:47])[H:48].[H][O:30][H:49]>>[C:1]([C:2](=[O:3])[O:30][H:49])([H:46])([H:47])[H:48].[H][O:4][C:5]([C:6]([C@:7]([C:8]([O:9][H:31])([H:32])[H:33])([C:10]1:[C:11]([O:12][H:34]):[C:13]([H:35]):[C:14]2:[C:15](:[C:16]:1[O:17][H:36])[C:18](=[O:19])[C:20]1:[C:21]([O:22][H:37]):[C:23]([H:38]):[C:24]([O:25][H:39]):[C:26]([H:40]):[C:27]:1[C:28]2=[O:29])[H:41])([H:42])[H:43])([H:44])[H:45]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
202865 versiconol acetate + H2O = versiconol + acetate False Aspergillus parasiticus Q8J126 uniprot 3.1.1.94

Derived Partial Reactions

EVODEX.1-P4154

[H]C([H])([H])C(=O)[O:4][C:5]([C:6]([C@:7]([C:8]([O:9][H:31])([H:32])[H:33])([C:10]1:[C:11]([O:12][H:34]):[C:13]([H:35]):[C:14]2:[C:15](:[C:16]:1[O:17][H:36])[C:18](=[O:19])[C:20]1:[C:21]([O:22][H:37]):[C:23]([H:38]):[C:24]([O:25][H:39]):[C:26]([H:40]):[C:27]:1[C:28]2=[O:29])[H:41])([H:42])[H:43])([H:44])[H:45]>>[H][O:4][C:5]([C:6]([C@:7]([C:8]([O:9][H:31])([H:32])[H:33])([C:10]1:[C:11]([O:12][H:34]):[C:13]([H:35]):[C:14]2:[C:15](:[C:16]:1[O:17][H:36])[C:18](=[O:19])[C:20]1:[C:21]([O:22][H:37]):[C:23]([H:38]):[C:24]([O:25][H:39]):[C:26]([H:40]):[C:27]:1[C:28]2=[O:29])[H:41])([H:42])[H:43])([H:44])[H:45]

[H]C([H])([H])C(=O)[O:4][C:5]([C:6]([C@:7]([C:8]([O:9][H:31])([H:32])[H:33])([C:10]1:[C:11]([O:12][H:34]):[C:13]([H:35]):[C:14]2:[C:15](:[C:16]:1[O:17][H:36])[C:18](=[O:19])[C:20]1:[C:21]([O:22][H:37]):[C:23]([H:38]):[C:24]([O:25][H:39]):[C:26]([H:40]):[C:27]:1[C:28]2=[O:29])[H:41])([H:42])[H:43])([H:44])[H:45]>>[H][O:4][C:5]([C:6]([C@:7]([C:8]([O:9][H:31])([H:32])[H:33])([C:10]1:[C:11]([O:12][H:34]):[C:13]([H:35]):[C:14]2:[C:15](:[C:16]:1[O:17][H:36])[C:18](=[O:19])[C:20]1:[C:21]([O:22][H:37]):[C:23]([H:38]):[C:24]([O:25][H:39]):[C:26]([H:40]):[C:27]:1[C:28]2=[O:29])[H:41])([H:42])[H:43])([H:44])[H:45]