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EVODEX.1-R2854

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

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

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
123829 1-O-sinapoyl-beta-D-glucose + neopentyl alcohol = beta-D-glucose + neopentylsinapate False Arabidopsis sp. nan 2.3.1.91

Derived Partial Reactions

EVODEX.1-P2098

[H][O:6][C:5]([C:2]([C:1]([H:43])([H:44])[H:45])([C:3]([H:34])([H:35])[H:36])[C:4]([H:37])([H:38])[H:39])([H:41])[H:42]>>[H]OC1:C(OC([H])([H])[H]):C([H]):C(C([H])=C([H])C(=O)[O:6][C:5]([C:2]([C:1]([H:43])([H:44])[H:45])([C:3]([H:34])([H:35])[H:36])[C:4]([H:37])([H:38])[H:39])([H:41])[H:42]):C([H]):C:1OC([H])([H])[H]

[H][O:6][C:5]([C:2]([C:1]([H:43])([H:44])[H:45])([C:3]([H:34])([H:35])[H:36])[C:4]([H:37])([H:38])[H:39])([H:41])[H:42]>>[H]OC1:C(OC([H])([H])[H]):C([H]):C(C([H])=C([H])C(=O)[O:6][C:5]([C:2]([C:1]([H:43])([H:44])[H:45])([C:3]([H:34])([H:35])[H:36])[C:4]([H:37])([H:38])[H:39])([H:41])[H:42]):C([H]):C:1OC([H])([H])[H]