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EVODEX.1-R7180

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[H][O:14][C:13]1:[C:12]([C:2](=[O:1])[C:3](=[C:4]([C:5]2:[C:6]([H:21]):[C:7]([H:22]):[C:8]([H:23]):[C:9]([H:24]):[C:10]:2[F:11])[H:25])[H:26]):[C:19]([O:20][H:31]):[C:18]([H:30]):[C:16]([O:17][H:29]):[C:15]:1[H:28]>>[H][C:3]1([H:26])[C:2](=[O:1])[C:12]2:[C:13](:[C:15]([H:28]):[C:16]([O:17][H:29]):[C:18]([H:30]):[C:19]:2[O:20][H:31])[O:14][C@:4]1([C:5]1:[C:6]([H:21]):[C:7]([H:22]):[C:8]([H:23]):[C:9]([H:24]):[C:10]:1[F:11])[H:25]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
310709 (2E)-3-(2-fluorophenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one = (2R)-2-(2-fluorophenyl)-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one False Scutellaria baicalensis nan 5.5.1.6

Derived Partial Reactions

EVODEX.1-P6599

[H][O:14][C:13]1:[C:12]([C:2](=[O:1])[C:3](=[C:4]([C:5]2:[C:6]([H:21]):[C:7]([H:22]):[C:8]([H:23]):[C:9]([H:24]):[C:10]:2[F:11])[H:25])[H:26]):[C:19]([O:20][H:31]):[C:18]([H:30]):[C:16]([O:17][H:29]):[C:15]:1[H:28]>>[H][C:3]1([H:26])[C:2](=[O:1])[C:12]2:[C:13](:[C:15]([H:28]):[C:16]([O:17][H:29]):[C:18]([H:30]):[C:19]:2[O:20][H:31])[O:14][C@:4]1([C:5]1:[C:6]([H:21]):[C:7]([H:22]):[C:8]([H:23]):[C:9]([H:24]):[C:10]:1[F:11])[H:25]

[H][O:14][C:13]1:[C:12]([C:2](=[O:1])[C:3](=[C:4]([C:5]2:[C:6]([H:21]):[C:7]([H:22]):[C:8]([H:23]):[C:9]([H:24]):[C:10]:2[F:11])[H:25])[H:26]):[C:19]([O:20][H:31]):[C:18]([H:30]):[C:16]([O:17][H:29]):[C:15]:1[H:28]>>[H][C:3]1([H:26])[C:2](=[O:1])[C:12]2:[C:13](:[C:15]([H:28]):[C:16]([O:17][H:29]):[C:18]([H:30]):[C:19]:2[O:20][H:31])[O:14][C@:4]1([C:5]1:[C:6]([H:21]):[C:7]([H:22]):[C:8]([H:23]):[C:9]([H:24]):[C:10]:1[F:11])[H:25]