SMIRKS
[H]OP(=O)(O[H])O[C@:6]([C@:4]([C:3](=[O:2])[H:30])([O:5][H:18])[H:29])([C@:12]([O:13][H:21])([C@:14]([O:15][H:22])([C:16]([O:17][H:23])([H:24])[H:25])[H:26])[H:27])[H:28]>>[H]O[C@:6]([C@:4]([C:3](=[O:2])[H:30])([O:5][H:18])[H:29])([C@:12]([O:13][H:21])([C@:14]([O:15][H:22])([C:16]([O:17][H:23])([H:24])[H:25])[H:26])[H:27])[H:28]
Derived Operators
EVODEX.1-F114 - Elemental Balance
P | -1 |
O | -3 |
H | -1 |
EVODEX.1-M33 - Mass Difference
-79.96633
EVODEX.1-E729 - Reaction Operator E
[#6:2]-[#6:4](-[#6:5])(-[#8:11]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[H:41]>>[#6:2]-[#6@@:4](-[#6:5])(-[#8:11]-[H])-[H:41]
Source Full Reactions
EVODEX.1-R5037
[O:2]=[C:3]([C@:4]([O:5][H:18])([C@@:6]([O:7][P:8](=[O:9])([O:10][H:19])[O:11][H:20])([C@:12]([O:13][H:21])([C@:14]([O:15][H:22])([C:16]([O:17][H:23])([H:24])[H:25])[H:26])[H:27])[H:28])[H:29])[H:30].[H][O:1][H:31]>>[O:1]([C@:6]([C@:4]([C:3](=[O:2])[H:30])([O:5][H:18])[H:29])([C@:12]([O:13][H:21])([C@:14]([O:15][H:22])([C:16]([O:17][H:23])([H:24])[H:25])[H:26])[H:27])[H:28])[H:31].[H][O:7][P:8](=[O:9])([O:10][H:19])[O:11][H:20]