SMIRKS
[H]OC([H])([H])C([H])(O[H])C([H])([H])O[C:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:51])([H:52])[H:53])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44])([H:41])[H:42])([H:39])[H:40])([H:37])[H:38])([H:35])[H:36])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])=[O:14]>>[H]O[C:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:51])([H:52])[H:53])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44])([H:41])[H:42])([H:39])[H:40])([H:37])[H:38])([H:35])[H:36])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])=[O:14]
Derived Operators
EVODEX.1-F313 - Elemental Balance
| O | -2 |
| C | -3 |
| H | -6 |
EVODEX.1-M327 - Mass Difference
-74.03678000000001
EVODEX.1-E1086 - Reaction Operator E
[#8:12](-[#6](-[#6](-[#8]-[H])(-[#6](-[#8]-[H])(-[H])-[H])-[H])(-[H])-[H])-[H:40]>>[#8:12](-[H:40])-[H]
EVODEX.1-C492 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[#8:12]>>[H]-[#8:12]
EVODEX.1-N604 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[#8:12]-[H:40]>>[H]-[#8:12]-[H:40]
Source Full Reactions
EVODEX.1-R4865
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13](=[O:14])[O:15][C:16]([C:17]([O:18][H:22])([C:19]([O:20][H:23])([H:24])[H:25])[H:26])([H:27])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])([H:52])[H:53].[H][O:21][H:54]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13](=[O:14])[O:21][H:54])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])([H:52])[H:53].[H][O:15][C:16]([C:17]([O:18][H:22])([C:19]([O:20][H:23])([H:24])[H:25])[H:26])([H:27])[H:28]