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EVODEX.1-R3296

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

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-P2555

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

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