SMIRKS
[H]O[C@]1([H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])O[C@@]([H])([O:5][C@:6]2([H:25])[C@:7]([O:8][H:26])([H:27])[C@@:9]([O:10][H:28])([H:29])[C@:11]([C:12]([O:13][H:30])([H:31])[H:32])([H:33])[O:14][C@:15]2([O:16][H:34])[H:35])[C@]1([H])O[H]>>[H][O:5][C@:6]1([H:25])[C@:7]([O:8][H:26])([H:27])[C@@:9]([O:10][H:28])([H:29])[C@:11]([C:12]([O:13][H:30])([H:31])[H:32])([H:33])[O:14][C@:15]1([O:16][H:34])[H:35]
Derived Operators
EVODEX.1-F395 - Elemental Balance
| O | -4 |
| C | -6 |
| H | -10 |
EVODEX.1-M391 - Mass Difference
-146.05790000000002
EVODEX.1-E1200 - Reaction Operator E
[#6](-[#6@]1(-[H])-[#8]-[#6@](-[#8:5]-[#6:6])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])(-[H])-[H]>>[#8:5](-[#6:6])-[H]
EVODEX.1-C539 - Reaction Operator C
[H]-[#8]-[#6@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8:5])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[H])-[#6@]-1(-[H])-[#8]-[H]>>[H]-[#8:5]
EVODEX.1-N688 - Reaction Operator N
[H]-[#8]-[#6@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8:5]-[#6@@:6])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[H])-[#6@]-1(-[H])-[#8]-[H]>>[H]-[#8:5]-[#6@@:6]
Source Full Reactions
EVODEX.1-R5336
[C:16]([C@:17]1([H:38])[O:18][C:19]([O:20][C:21]2([H:39])[C:22]([O:23][H:40])([H:41])[O:24][C@@:25]([C:26]([O:27][H:42])([H:43])[H:44])([H:45])[C@@:28]([O:29][H:46])([H:47])[C@@:30]2([O:31][H:48])[H:49])([H:50])[C@:32]([O:33][H:51])([H:52])[C:34]([O:35][H:53])([H:54])[C:36]1([O:37][H:55])[H:56])([H:57])([H:58])[H:59].[H][O:15][C@:14]1([H:70])[C@:5]([N:4]([C:2]([C:1]([H:72])([H:73])[H:74])=[O:3])[H:71])([H:60])[C:6]([O:7][H:61])([H:62])[O:8][C@@:9]([C:10]([O:11][H:63])([H:64])[H:65])([H:66])[C@:12]1([O:13][H:67])[H:68]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:60])[C:6]([O:7][H:61])([H:62])[O:8][C@@:9]([C:10]([O:11][H:63])([H:64])[H:65])([H:66])[C@:12]([O:13][H:67])([H:68])[C@@:14]1([O:15][C:19]1([H:50])[O:18][C@:17]([C:16]([H:57])([H:58])[H:59])([H:38])[C:36]([O:37][H:55])([H:56])[C:34]([O:35][H:53])([H:54])[C@@:32]1([O:33][H:51])[H:52])[H:70])[H:71])([H:72])([H:73])[H:74].[H][O:20][C@:21]1([H:39])[C:22]([O:23][H:40])([H:41])[O:24][C@@:25]([C:26]([O:27][H:42])([H:43])[H:44])([H:45])[C@@:28]([O:29][H:46])([H:47])[C@@:30]1([O:31][H:48])[H:49]
EVODEX.1-R5276
[C:1]([C@:2]1([H:24])[O:3][C@:4]([O:5][C@:6]2([H:25])[C@:7]([O:8][H:26])([H:27])[C@@:9]([O:10][H:28])([H:29])[C@:11]([C:12]([O:13][H:30])([H:31])[H:32])([H:33])[O:14][C@:15]2([O:16][H:34])[H:35])([H:36])[C@@:17]([O:18][H:37])([H:38])[C@@:19]([O:20][H:39])([H:40])[C@:21]1([O:22][H:41])[H:42])([H:43])([H:44])[H:45].[H][O:23][H:46]>>[C:1]([C@:2]1([H:24])[O:3][C:4]([O:23][H:46])([H:36])[C@@:17]([O:18][H:37])([H:38])[C@@:19]([O:20][H:39])([H:40])[C@:21]1([O:22][H:41])[H:42])([H:43])([H:44])[H:45].[H][O:5][C@:6]1([H:25])[C@:7]([O:8][H:26])([H:27])[C@@:9]([O:10][H:28])([H:29])[C@:11]([C:12]([O:13][H:30])([H:31])[H:32])([H:33])[O:14][C@:15]1([O:16][H:34])[H:35]