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EVODEX.1-R4618

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][O:35][C:34]1:[C:33]([H:60]):[C:32]([H:59]):[C:31]([C:30]2:[C:17]([O:18][C@:19]3([H:48])[O:20][C@@:21]([C:22]([O:23][H:49])([H:50])[H:51])([H:52])[C@:24]([O:25][H:53])([H:54])[C@@:26]([O:27][H:55])([H:56])[C@:28]3([O:29][H:57])[H:58]):[C:16](=[O:15]):[C:47]3:[C:40](:[O:39]:2):[C:41]([H:64]):[C:42]([O:43][H:65]):[C:44]([H:66]):[C:45]:3[O:46][H:67]):[C:38]([H:63]):[C:36]:1[O:37][H:62].[O:1]=[N+:2]([O-:3])[C:4]1:[C:5]([H:68]):[C:6]([H:69]):[C:7]([O:8][S:9](=[O:10])(=[O:11])[O:12][H:70]):[C:13]([H:71]):[C:14]:1[H:72]>>[H][O:8][C:7]1:[C:6]([H:69]):[C:5]([H:68]):[C:4]([N+:2](=[O:1])[O-:3]):[C:14]([H:72]):[C:13]:1[H:71].[S:9](=[O:10])(=[O:11])([O:12][H:70])[O:35][C:34]1:[C:33]([H:60]):[C:32]([H:59]):[C:31]([C:30]2:[C:17]([O:18][C@:19]3([H:48])[O:20][C@@:21]([C:22]([O:23][H:49])([H:50])[H:51])([H:52])[C@:24]([O:25][H:53])([H:54])[C@@:26]([O:27][H:55])([H:56])[C@:28]3([O:29][H:57])[H:58]):[C:16](=[O:15]):[C:47]3:[C:40](:[O:39]:2):[C:41]([H:64]):[C:42]([O:43][H:65]):[C:44]([H:66]):[C:45]:3[O:46][H:67]):[C:38]([H:63]):[C:36]:1[O:37][H:62]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
190559 4-nitrophenyl sulfate + isoquercetin = 4-nitrophenol + isoquercetin 4'-O-sulfate False Desulfitobacterium hafniense nan 2.8.2.22

Derived Partial Reactions

EVODEX.1-P3728

[H]OS(=O)(=O)[O:35][C:34]1:[C:33]([H:58]):[C:32]([H:57]):[C:31]([N+:29](=[O:28])[O-:30]):[C:41]([H:61]):[C:40]:1[H:60]>>[H][O:35][C:34]1:[C:33]([H:58]):[C:32]([H:57]):[C:31]([N+:29](=[O:28])[O-:30]):[C:41]([H:61]):[C:40]:1[H:60]

[H]OS(=O)(=O)[O:35][C:34]1:[C:33]([H:58]):[C:32]([H:57]):[C:31]([N+:29](=[O:28])[O-:30]):[C:41]([H:61]):[C:40]:1[H:60]>>[H][O:35][C:34]1:[C:33]([H:58]):[C:32]([H:57]):[C:31]([N+:29](=[O:28])[O-:30]):[C:41]([H:61]):[C:40]:1[H:60]