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EVODEX.1-R3295

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][O:32][C:31]1:[C:21]([O:20][C:19]([C:18](=[C:16]([C:15]([H:46])([H:47])[H:48])[C:17]([H:33])([H:34])[H:35])[H:45])([H:43])[H:44]):[C:22]([H:36]):[C:23]([H:37]):[C:24]([C:25](=[C:26]([C:27](=[O:28])[O:29][H:38])[H:39])[H:40]):[C:30]:1[H:41].[C:1]([C:2]([C:3]([H:49])([H:50])[H:51])=[C:4]([C:5]([O:6][P:7](=[O:8])([O:9][H:52])[O:10][P:11](=[O:12])([O:13][H:53])[O:14][H:54])([H:55])[H:56])[H:57])([H:58])([H:59])[H:60]>>[C:1]([C:2]([C:3]([H:49])([H:50])[H:51])=[C:4]([C:5]([O:32][C:31]1:[C:21]([O:20][C:19]([C:18](=[C:16]([C:15]([H:46])([H:47])[H:48])[C:17]([H:33])([H:34])[H:35])[H:45])([H:43])[H:44]):[C:22]([H:36]):[C:23]([H:37]):[C:24]([C:25](=[C:26]([C:27](=[O:28])[O:29][H:38])[H:39])[H:40]):[C:30]:1[H:41])([H:55])[H:56])[H:57])([H:58])([H:59])[H:60].[H][O:6][P:7](=[O:8])([O:9][H:52])[O:10][P:11](=[O:12])([O:13][H:53])[O:14][H:54]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
146526 dimethylallyl diphosphate + caffeate = diphosphate + 3-O,4-O-bis-(dimethylallyl)caffeate False Streptomyces niveus Q9L9F1 uniprot 2.5.1.111

Derived Partial Reactions

EVODEX.1-P2553

[H][O:32][C:31]1:[C:21]([O:20][C:19]([C:18](=[C:16]([C:15]([H:46])([H:47])[H:48])[C:17]([H:33])([H:34])[H:35])[H:45])([H:43])[H:44]):[C:22]([H:36]):[C:23]([H:37]):[C:24]([C:25](=[C:26]([C:27](=[O:28])[O:29][H:38])[H:39])[H:40]):[C:30]:1[H:41].[H]OP(=O)(O[H])OP(=O)(O[H])O[C:5]([C:4](=[C:2]([C:1]([H:58])([H:59])[H:60])[C:3]([H:49])([H:50])[H:51])[H:57])([H:55])[H:56]>>[C:1]([C:2]([C:3]([H:49])([H:50])[H:51])=[C:4]([C:5]([O:32][C:31]1:[C:21]([O:20][C:19]([C:18](=[C:16]([C:15]([H:46])([H:47])[H:48])[C:17]([H:33])([H:34])[H:35])[H:45])([H:43])[H:44]):[C:22]([H:36]):[C:23]([H:37]):[C:24]([C:25](=[C:26]([C:27](=[O:28])[O:29][H:38])[H:39])[H:40]):[C:30]:1[H:41])([H:55])[H:56])[H:57])([H:58])([H:59])[H:60]

[H][O:32][C:31]1:[C:21]([O:20][C:19]([C:18](=[C:16]([C:15]([H:46])([H:47])[H:48])[C:17]([H:33])([H:34])[H:35])[H:45])([H:43])[H:44]):[C:22]([H:36]):[C:23]([H:37]):[C:24]([C:25](=[C:26]([C:27](=[O:28])[O:29][H:38])[H:39])[H:40]):[C:30]:1[H:41].[H]OP(=O)(O[H])OP(=O)(O[H])O[C:5]([C:4](=[C:2]([C:1]([H:58])([H:59])[H:60])[C:3]([H:49])([H:50])[H:51])[H:57])([H:55])[H:56]>>[C:1]([C:2]([C:3]([H:49])([H:50])[H:51])=[C:4]([C:5]([O:32][C:31]1:[C:21]([O:20][C:19]([C:18](=[C:16]([C:15]([H:46])([H:47])[H:48])[C:17]([H:33])([H:34])[H:35])[H:45])([H:43])[H:44]):[C:22]([H:36]):[C:23]([H:37]):[C:24]([C:25](=[C:26]([C:27](=[O:28])[O:29][H:38])[H:39])[H:40]):[C:30]:1[H:41])([H:55])[H:56])[H:57])([H:58])([H:59])[H:60]

EVODEX.1-P2554

[H][O:32][C:31]1:[C:21]([O:20][C:19]([C:18](=[C:16]([C:15]([H:46])([H:47])[H:48])[C:17]([H:33])([H:34])[H:35])[H:45])([H:43])[H:44]):[C:22]([H:36]):[C:23]([H:37]):[C:24]([C:25](=[C:26]([C:27](=[O:28])[O:29][H:38])[H:39])[H:40]):[C:30]:1[H:41]>>[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])[O:32][C:31]1:[C:21]([O:20][C:19]([C:18](=[C:16]([C:15]([H:46])([H:47])[H:48])[C:17]([H:33])([H:34])[H:35])[H:45])([H:43])[H:44]):[C:22]([H:36]):[C:23]([H:37]):[C:24]([C:25](=[C:26]([C:27](=[O:28])[O:29][H:38])[H:39])[H:40]):[C:30]:1[H:41]

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