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EVODEX.1-R5207

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([O:2][C:3]1:[C:4]([H:31]):[C:5]([H:32]):[C:6]([C:7]([C:8]([C:9](=[N:10][O:11][S:12](=[O:13])(=[O:14])[O:15][H:33])[S:16][C@:17]2([H:34])[O:18][C@@:19]([C:20]([O:21][H:35])([H:36])[H:37])([H:38])[C@:22]([O:23][H:39])([H:40])[C@@:24]([O:25][H:41])([H:42])[C@:26]2([O:27][H:43])[H:44])([H:45])[H:46])([H:47])[H:48]):[C:28]([H:49]):[C:29]:1[H:50])([H:51])([H:52])[H:53].[H][O:30][H:54]>>[C@@:17]1([O:30][H:54])([H:34])[O:18][C@@:19]([C:20]([O:21][H:35])([H:36])[H:37])([H:38])[C@:22]([O:23][H:39])([H:40])[C@@:24]([O:25][H:41])([H:42])[C@:26]1([O:27][H:43])[H:44].[H][S:16][C:9]([C:8]([C:7]([C:6]1:[C:5]([H:32]):[C:4]([H:31]):[C:3]([O:2][C:1]([H:51])([H:52])[H:53]):[C:29]([H:50]):[C:28]:1[H:49])([H:47])[H:48])([H:45])[H:46])=[N:10][O:11][S:12](=[O:13])(=[O:14])[O:15][H:33]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
220133 2-(4-methoxyphenyl)ethylglucosinolate + H2O = D-glucose + 4-(2-cyano-1-hydroxyethyl)phenyl sulfate + 4-(2-cyanoethyl)phenyl sulfate False Arabis soyeri nan 3.2.1.147

Derived Partial Reactions

EVODEX.1-P4368

[C:1]([O:2][C:3]1:[C:4]([H:31]):[C:5]([H:32]):[C:6]([C:7]([C:8]([C:9](=[N:10][O:11][S:12](=[O:13])(=[O:14])[O:15][H:33])[S:16][C@:17]2([H:34])[O:18][C@@:19]([C:20]([O:21][H:35])([H:36])[H:37])([H:38])[C@:22]([O:23][H:39])([H:40])[C@@:24]([O:25][H:41])([H:42])[C@:26]2([O:27][H:43])[H:44])([H:45])[H:46])([H:47])[H:48]):[C:28]([H:49]):[C:29]:1[H:50])([H:51])([H:52])[H:53].[H][O:30][H:54]>>[C@@:17]1([O:30][H:54])([H:34])[O:18][C@@:19]([C:20]([O:21][H:35])([H:36])[H:37])([H:38])[C@:22]([O:23][H:39])([H:40])[C@@:24]([O:25][H:41])([H:42])[C@:26]1([O:27][H:43])[H:44].[H][S:16][C:9]([C:8]([C:7]([C:6]1:[C:5]([H:32]):[C:4]([H:31]):[C:3]([O:2][C:1]([H:51])([H:52])[H:53]):[C:29]([H:50]):[C:28]:1[H:49])([H:47])[H:48])([H:45])[H:46])=[N:10][O:11][S:12](=[O:13])(=[O:14])[O:15][H:33]

[C:1]([O:2][C:3]1:[C:4]([H:31]):[C:5]([H:32]):[C:6]([C:7]([C:8]([C:9](=[N:10][O:11][S:12](=[O:13])(=[O:14])[O:15][H:33])[S:16][C@:17]2([H:34])[O:18][C@@:19]([C:20]([O:21][H:35])([H:36])[H:37])([H:38])[C@:22]([O:23][H:39])([H:40])[C@@:24]([O:25][H:41])([H:42])[C@:26]2([O:27][H:43])[H:44])([H:45])[H:46])([H:47])[H:48]):[C:28]([H:49]):[C:29]:1[H:50])([H:51])([H:52])[H:53].[H][O:30][H:54]>>[C@@:17]1([O:30][H:54])([H:34])[O:18][C@@:19]([C:20]([O:21][H:35])([H:36])[H:37])([H:38])[C@:22]([O:23][H:39])([H:40])[C@@:24]([O:25][H:41])([H:42])[C@:26]1([O:27][H:43])[H:44].[H][S:16][C:9]([C:8]([C:7]([C:6]1:[C:5]([H:32]):[C:4]([H:31]):[C:3]([O:2][C:1]([H:51])([H:52])[H:53]):[C:29]([H:50]):[C:28]:1[H:49])([H:47])[H:48])([H:45])[H:46])=[N:10][O:11][S:12](=[O:13])(=[O:14])[O:15][H:33]