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:41])[C:7]([H:42])([H:43])[C:8]([H:44])([H:45])[C@:9]3([C:10]([H:46])([H:47])[H:48])[C@@:11]4([H:49])[C:12]([H:50])([H:51])[C:13]([H:52])([H:53])[C@:14]5([C:15]([H:54])([H:55])[H:56])[C@:16]([C:17]6=[C:18]([H:57])[C:19](=[O:20])[O:21][C:22]6([H:58])[H:59])([H:60])[C:23]([H:61])([H:62])[C:24]([H:63])([H:64])[C@:25]5([O:26][H:65])[C@:27]4([H:66])[C:28]([H:67])([H:68])[C:29]([H:69])([H:70])[C@:30]3([O:31][H:71])[C:32]2([H:72])[H:73])[C@]1([H])O[H]>>[H][O:5][C@@:6]1([H:41])[C:7]([H:42])([H:43])[C:8]([H:44])([H:45])[C@:9]2([C:10]([H:46])([H:47])[H:48])[C@@:11]3([H:49])[C:12]([H:50])([H:51])[C:13]([H:52])([H:53])[C@:14]4([C:15]([H:54])([H:55])[H:56])[C@:16]([C:17]5=[C:18]([H:57])[C:19](=[O:20])[O:21][C:22]5([H:58])[H:59])([H:60])[C:23]([H:61])([H:62])[C:24]([H:63])([H:64])[C@:25]4([O:26][H:65])[C@:27]3([H:66])[C:28]([H:67])([H:68])[C:29]([H:69])([H:70])[C@:30]2([O:31][H:71])[C:32]1([H:72])[H:73]
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-R5321
[C:1]([C@:2]1([H:40])[O:3][C@:4]([O:5][C@@:6]2([H:41])[C:7]([H:42])([H:43])[C:8]([H:44])([H:45])[C@:9]3([C:10]([H:46])([H:47])[H:48])[C@@:11]4([H:49])[C:12]([H:50])([H:51])[C:13]([H:52])([H:53])[C@:14]5([C:15]([H:54])([H:55])[H:56])[C@:16]([C:17]6=[C:18]([H:57])[C:19](=[O:20])[O:21][C:22]6([H:58])[H:59])([H:60])[C:23]([H:61])([H:62])[C:24]([H:63])([H:64])[C@:25]5([O:26][H:65])[C@:27]4([H:66])[C:28]([H:67])([H:68])[C:29]([H:69])([H:70])[C@:30]3([O:31][H:71])[C:32]2([H:72])[H:73])([H:74])[C@@:33]([O:34][H:75])([H:76])[C@@:35]([O:36][H:77])([H:78])[C@:37]1([O:38][H:79])[H:80])([H:81])([H:82])[H:83].[H][O:39][H:84]>>[C:1]([C@:2]1([H:40])[O:3][C@:4]([O:39][H:84])([H:74])[C@@:33]([O:34][H:75])([H:76])[C@@:35]([O:36][H:77])([H:78])[C@:37]1([O:38][H:79])[H:80])([H:81])([H:82])[H:83].[H][O:5][C@@:6]1([H:41])[C:7]([H:42])([H:43])[C:8]([H:44])([H:45])[C@:9]2([C:10]([H:46])([H:47])[H:48])[C@@:11]3([H:49])[C:12]([H:50])([H:51])[C:13]([H:52])([H:53])[C@:14]4([C:15]([H:54])([H:55])[H:56])[C@:16]([C:17]5=[C:18]([H:57])[C:19](=[O:20])[O:21][C:22]5([H:58])[H:59])([H:60])[C:23]([H:61])([H:62])[C:24]([H:63])([H:64])[C@:25]4([O:26][H:65])[C@:27]3([H:66])[C:28]([H:67])([H:68])[C:29]([H:69])([H:70])[C@:30]2([O:31][H:71])[C:32]1([H:72])[H:73]