SMIRKS
[O:1]=[C:2]([C:3](=[C:4]([C:5]1:[C:6]([H:35]):[C:7]([H:36]):[C:8]([O:9][H:37]):[C:10]([O:11][H:38]):[C:12]:1[H:39])[H:40])[H:41])[O:13][C:14]1([H:42])[C:15]([H:43])([H:44])[C@:16]([O:17][H:45])([C:18](=[O:19])[O:20][H:46])[C:21]([H:47])([H:48])[C@:22]([O:23][H:49])([H:50])[C@@:24]1([O:25][H:51])[H:52].[H][O:26][C:27]([C:28]([C:29]1:[C:30]([H:53]):[C:31]([H:54]):[C:32]([H:55]):[C:33]([H:56]):[C:34]:1[H:57])([H:58])[H:59])([H:60])[H:61]>>[O:1]=[C:2]([C:3](=[C:4]([C:5]1:[C:6]([H:35]):[C:7]([H:36]):[C:8]([O:9][H:37]):[C:10]([O:11][H:38]):[C:12]:1[H:39])[H:40])[H:41])[O:26][C:27]([C:28]([C:29]1:[C:30]([H:53]):[C:31]([H:54]):[C:32]([H:55]):[C:33]([H:56]):[C:34]:1[H:57])([H:58])[H:59])([H:60])[H:61].[H][O:13][C@@:14]1([H:42])[C:15]([H:43])([H:44])[C@:16]([O:17][H:45])([C:18](=[O:19])[O:20][H:46])[C:21]([H:47])([H:48])[C@:22]([O:23][H:49])([H:50])[C@@:24]1([O:25][H:51])[H:52]
Source Database Data
| Rxn Index | Original Reaction Text | Natural | Organism | Protein Refs | Protein DB | EC Number |
|---|---|---|---|---|---|---|
| 198557 | 2-phenylethyl alcohol + 5-chlorogenic acid = 2-phenylethyl caffeate + quinate | False | Aspergillus japonicus | nan | 3.1.1.42 |
Derived Partial Reactions
EVODEX.1-P4048
![[H][O:26][C:27]([C:28]([C:29]1:[C:30]([H:53]):[C:31]([H:54]):[C:32]([H:55]):[C:33]([H:56]):[C:34]:1[H:57])([H:58])[H:59])([H:60])[H:61]>>[H]OC1:C([H]):C([H]):C(C([H])=C([H])C(=O)[O:26][C:27]([C:28]([C:29]2:[C:30]([H:53]):[C:31]([H:54]):[C:32]([H:55]):[C:33]([H:56]):[C:34]:2[H:57])([H:58])[H:59])([H:60])[H:61]):C([H]):C:1O[H]](../images/EVODEX.1-P4048.svg)
[H][O:26][C:27]([C:28]([C:29]1:[C:30]([H:53]):[C:31]([H:54]):[C:32]([H:55]):[C:33]([H:56]):[C:34]:1[H:57])([H:58])[H:59])([H:60])[H:61]>>[H]OC1:C([H]):C([H]):C(C([H])=C([H])C(=O)[O:26][C:27]([C:28]([C:29]2:[C:30]([H:53]):[C:31]([H:54]):[C:32]([H:55]):[C:33]([H:56]):[C:34]:2[H:57])([H:58])[H:59])([H:60])[H:61]):C([H]):C:1O[H]