EVODEX Logo

EVODEX.1-R5179

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
218974 secologanin + H2O = secologanin aglycone False Rauvolfia serpentina nan 3.2.1.125

Derived Partial Reactions

EVODEX.1-P4334

[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@:4]2([H:41])[C@@:3]([C:2](=[C:1]([H:51])[H:52])[H:50])([H:29])[C@@:24]([C:25]([C:26](=[O:27])[H:46])([H:47])[H:48])([H:49])[C:19]([C:20](=[O:21])[O:22][C:23]([H:43])([H:44])[H:45])=[C:18]([H:42])[O:17]2)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H].[H][O:28][H:53]>>[C:1](=[C:2]([C@@:3]1([H:29])[C@:4]([O:28][H:53])([H:41])[O:17][C:18]([H:42])=[C:19]([C:20](=[O:21])[O:22][C:23]([H:43])([H:44])[H:45])[C@:24]1([C:25]([C:26](=[O:27])[H:46])([H:47])[H:48])[H:49])[H:50])([H:51])[H:52]

[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@:4]2([H:41])[C@@:3]([C:2](=[C:1]([H:51])[H:52])[H:50])([H:29])[C@@:24]([C:25]([C:26](=[O:27])[H:46])([H:47])[H:48])([H:49])[C:19]([C:20](=[O:21])[O:22][C:23]([H:43])([H:44])[H:45])=[C:18]([H:42])[O:17]2)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H].[H][O:28][H:53]>>[C:1](=[C:2]([C@@:3]1([H:29])[C@:4]([O:28][H:53])([H:41])[O:17][C:18]([H:42])=[C:19]([C:20](=[O:21])[O:22][C:23]([H:43])([H:44])[H:45])[C@:24]1([C:25]([C:26](=[O:27])[H:46])([H:47])[H:48])[H:49])[H:50])([H:51])[H:52]

EVODEX.1-P4335

[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@:4]2([H:41])[C@@:3]([C:2](=[C:1]([H:51])[H:52])[H:50])([H:29])[C@@:24]([C:25]([C:26](=[O:27])[H:46])([H:47])[H:48])([H:49])[C:19]([C:20](=[O:21])[O:22][C:23]([H:43])([H:44])[H:45])=[C:18]([H:42])[O:17]2)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]>>[H]O[C@:4]1([H:41])[C@@:3]([C:2](=[C:1]([H:51])[H:52])[H:50])([H:29])[C@@:24]([C:25]([C:26](=[O:27])[H:46])([H:47])[H:48])([H:49])[C:19]([C:20](=[O:21])[O:22][C:23]([H:43])([H:44])[H:45])=[C:18]([H:42])[O:17]1

[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@:4]2([H:41])[C@@:3]([C:2](=[C:1]([H:51])[H:52])[H:50])([H:29])[C@@:24]([C:25]([C:26](=[O:27])[H:46])([H:47])[H:48])([H:49])[C:19]([C:20](=[O:21])[O:22][C:23]([H:43])([H:44])[H:45])=[C:18]([H:42])[O:17]2)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]>>[H]O[C@:4]1([H:41])[C@@:3]([C:2](=[C:1]([H:51])[H:52])[H:50])([H:29])[C@@:24]([C:25]([C:26](=[O:27])[H:46])([H:47])[H:48])([H:49])[C:19]([C:20](=[O:21])[O:22][C:23]([H:43])([H:44])[H:45])=[C:18]([H:42])[O:17]1