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EVODEX.1-R1936

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[O:1]=[C:2]([C:3](=[C:4]([C:5]1:[C:6]([H:47]):[C:7]([H:48]):[C:8]([O:9][H:49]):[C:10]([H:50]):[C:11]:1[H:51])[H:52])[H:53])[O:12][C@:13]1([H:54])[O:14][C@@:15]([C:16]([O:17][H:55])([H:56])[H:57])([H:58])[C@:18]([O:19][H:59])([H:60])[C@@:20]([O:21][H:61])([H:62])[C@:22]1([O:23][H:63])[H:64].[H][O:46][C@@:45]1([H:82])[C@@:36]([O:35][C:25](=[O:24])[C:26](=[C:27]([C:28]2:[C:29]([H:65]):[C:30]([H:66]):[C:31]([O:32][H:67]):[C:33]([H:68]):[C:34]:2[H:69])[H:70])[H:71])([H:72])[O:37][C@@:38]([C:39]([O:40][H:73])([H:74])[H:75])([H:76])[C@:41]([O:42][H:77])([H:78])[C@@:43]1([O:44][H:79])[H:80]>>[O:1]=[C:2]([C:3](=[C:4]([C:5]1:[C:6]([H:47]):[C:7]([H:48]):[C:8]([O:9][H:49]):[C:10]([H:50]):[C:11]:1[H:51])[H:52])[H:53])[O:46][C@@:45]1([H:82])[C@@:36]([O:35][C:25](=[O:24])[C:26](=[C:27]([C:28]2:[C:29]([H:65]):[C:30]([H:66]):[C:31]([O:32][H:67]):[C:33]([H:68]):[C:34]:2[H:69])[H:70])[H:71])([H:72])[O:37][C@@:38]([C:39]([O:40][H:73])([H:74])[H:75])([H:76])[C@:41]([O:42][H:77])([H:78])[C@@:43]1([O:44][H:79])[H:80].[H][O:12][C:13]1([H:54])[O:14][C@@:15]([C:16]([O:17][H:55])([H:56])[H:57])([H:58])[C@:18]([O:19][H:59])([H:60])[C@@:20]([O:21][H:61])([H:62])[C@:22]1([O:23][H:63])[H:64]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
110020 1-(p-coumaroyl)-beta-D-glucose + 1-(p-coumaroyl)-beta-D-glucose = 1,2-di-O-p-coumaroyl-beta-D-glucopyranose + D-glucose {ir} False Raphanus sativus nan 2.3.1.103

Derived Partial Reactions

EVODEX.1-P1411

[H][O:23][C@@:22]1([H:64])[C@@:13]([O:12][C:2](=[O:1])[C:3](=[C:4]([C:5]2:[C:6]([H:47]):[C:7]([H:48]):[C:8]([O:9][H:49]):[C:10]([H:50]):[C:11]:2[H:51])[H:52])[H:53])([H:54])[O:14][C@@:15]([C:16]([O:17][H:55])([H:56])[H:57])([H:58])[C@:18]([O:19][H:59])([H:60])[C@@:20]1([O:21][H:61])[H:62]>>[H]OC1:C([H]):C([H]):C(C([H])=C([H])C(=O)[O:23][C@@:22]2([H:64])[C@@:13]([O:12][C:2](=[O:1])[C:3](=[C:4]([C:5]3:[C:6]([H:47]):[C:7]([H:48]):[C:8]([O:9][H:49]):[C:10]([H:50]):[C:11]:3[H:51])[H:52])[H:53])([H:54])[O:14][C@@:15]([C:16]([O:17][H:55])([H:56])[H:57])([H:58])[C@:18]([O:19][H:59])([H:60])[C@@:20]2([O:21][H:61])[H:62]):C([H]):C:1[H]

[H][O:23][C@@:22]1([H:64])[C@@:13]([O:12][C:2](=[O:1])[C:3](=[C:4]([C:5]2:[C:6]([H:47]):[C:7]([H:48]):[C:8]([O:9][H:49]):[C:10]([H:50]):[C:11]:2[H:51])[H:52])[H:53])([H:54])[O:14][C@@:15]([C:16]([O:17][H:55])([H:56])[H:57])([H:58])[C@:18]([O:19][H:59])([H:60])[C@@:20]1([O:21][H:61])[H:62]>>[H]OC1:C([H]):C([H]):C(C([H])=C([H])C(=O)[O:23][C@@:22]2([H:64])[C@@:13]([O:12][C:2](=[O:1])[C:3](=[C:4]([C:5]3:[C:6]([H:47]):[C:7]([H:48]):[C:8]([O:9][H:49]):[C:10]([H:50]):[C:11]:3[H:51])[H:52])[H:53])([H:54])[O:14][C@@:15]([C:16]([O:17][H:55])([H:56])[H:57])([H:58])[C@:18]([O:19][H:59])([H:60])[C@@:20]2([O:21][H:61])[H:62]):C([H]):C:1[H]