SMIRKS
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@:7]2([H:48])[C@@:6]([O:5][C@:4]3([H:57])[O:3][C@:2]([C:1]([H:64])([H:65])[H:66])([H:35])[C@:32]([O:33][H:62])([H:63])[C@:30]([O:31][H:60])([H:61])[C@@:28]3([O:29][H:58])[H:59])([H:36])[C@:26]([O:27][H:55])([H:56])[C:24]([O:25][H:53])([H:54])[O:23][C@@:20]2([C:21]([O:22][H:49])([H:50])[H:51])[H:52])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]>>[H]O[C@:7]1([H:48])[C@@:6]([O:5][C@:4]2([H:57])[O:3][C@:2]([C:1]([H:64])([H:65])[H:66])([H:35])[C@:32]([O:33][H:62])([H:63])[C@:30]([O:31][H:60])([H:61])[C@@:28]2([O:29][H:58])[H:59])([H:36])[C@:26]([O:27][H:55])([H:56])[C:24]([O:25][H:53])([H:54])[O:23][C@@:20]1([C:21]([O:22][H:49])([H:50])[H:51])[H:52]
Derived Operators
EVODEX.1-F43 - Elemental Balance
| O | -5 |
| C | -6 |
| H | -10 |
EVODEX.1-M30 - Mass Difference
-162.0528
EVODEX.1-E523 - Reaction Operator E
[#8](-[#6@@:29](-[#6@@:26])(-[H:81])-[#6@@:42])-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H]>>[#8](-[#6@:29](-[#6@@:26])(-[H:81])-[#6@@:42])-[H]
EVODEX.1-C168 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#8]-[#6@@:7])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@@]-1(-[H])-[#8]-[H]>>[H]-[#8]-[#6@:7]
EVODEX.1-N1250 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#8]-[#6@@:7](-[H:48])(-[#6@@:6])-[#6@@:20])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@@]-1(-[H])-[#8]-[H]>>[H]-[#8]-[#6@:7](-[H:48])(-[#6@@:6])-[#6@@:20]
Source Full Reactions
EVODEX.1-R5355
[C:1]([C@:2]1([H:35])[O:3][C@:4]([O:5][C@@:6]2([H:36])[C@@:7]([O:8][C@:9]3([H:37])[O:10][C@@:11]([C:12]([O:13][H:38])([H:39])[H:40])([H:41])[C@@:14]([O:15][H:42])([H:43])[C@@:16]([O:17][H:44])([H:45])[C@:18]3([O:19][H:46])[H:47])([H:48])[C@:20]([C:21]([O:22][H:49])([H:50])[H:51])([H:52])[O:23][C:24]([O:25][H:53])([H:54])[C@@:26]2([O:27][H:55])[H:56])([H:57])[C@:28]([O:29][H:58])([H:59])[C@@:30]([O:31][H:60])([H:61])[C@@:32]1([O:33][H:62])[H:63])([H:64])([H:65])[H:66].[H][O:34][H:67]>>[C:1]([C@:2]1([H:35])[O:3][C@:4]([O:5][C@@:6]2([H:36])[C@:7]([O:34][H:67])([H:48])[C@:20]([C:21]([O:22][H:49])([H:50])[H:51])([H:52])[O:23][C:24]([O:25][H:53])([H:54])[C@@:26]2([O:27][H:55])[H:56])([H:57])[C@:28]([O:29][H:58])([H:59])[C@@:30]([O:31][H:60])([H:61])[C@@:32]1([O:33][H:62])[H:63])([H:64])([H:65])[H:66].[H][O:8][C@:9]1([H:37])[O:10][C@@:11]([C:12]([O:13][H:38])([H:39])[H:40])([H:41])[C@@:14]([O:15][H:42])([H:43])[C@@:16]([O:17][H:44])([H:45])[C@:18]1([O:19][H:46])[H:47]