SMIRKS
[H]OC([H])([H])C([H])(O[H])C([H])([H])O[C:18]([C:17]([C:16]([C:15]([C:14]([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:62])([H:63])[H:64])([H:60])[H:61])([H:58])[H:59])([H:56])[H:57])([H:54])[H:55])[H:53])[H:52])([H:50])[H:51])[H:49])[H:48])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])=[O:19].[H][O:26][H:65]>>[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]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:26][H:65])([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:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])([H:63])[H:64]
Derived Operators
EVODEX.1-F324 - Elemental Balance
| O | -3 |
| C | -3 |
| H | -8 |
EVODEX.1-M334 - Mass Difference
-92.04734
EVODEX.1-E1106 - Reaction Operator E
[#6:1]-[#6:2](=[#8:3])-[#8]-[#6](-[#6](-[#8]-[H])(-[#6](-[#8]-[H])(-[H])-[H])-[H])(-[H])-[H].[#8:10](-[H:21])-[H]>>[#6:1]-[#6:2](=[#8:3])-[#8:10]-[H:21]
EVODEX.1-C494 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[#8]-[#6:18].[H]-[#8:26]>>[#6:18]-[#8:26]
EVODEX.1-N606 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[#8]-[#6:18](-[#6:17])=[#8:19].[H]-[#8:26]-[H:65]>>[#6:17]-[#6:18](=[#8:19])-[#8:26]-[H:65]
EVODEX.1-Em30 - Reaction Operator Em
[#6]-[#8]-[#6:3](=[#8:2])-[#6:4].[H]-[#8:1]>>[#8:1]-[#6:3](=[#8:2])-[#6:4]
EVODEX.1-Nm30 - Reaction Operator Nm
[#6]-[#8]-[#6:3](=[#8:2])-[#6:4].[H]-[#8:1]>>[#8:1]-[#6:3](=[#8:2])-[#6:4]
Source Full Reactions
EVODEX.1-R4809
[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]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:20][C:21]([C:22]([O:23][H:27])([C:24]([O:25][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:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])([H:63])[H:64].[H][O:26][H:65]>>[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]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:26][H:65])([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:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])([H:63])[H:64].[H][O:20][C:21]([C:22]([O:23][H:27])([C:24]([O:25][H:28])([H:29])[H:30])[H:31])([H:32])[H:33]