SMIRKS
[H][O:12][C:11]1:[C:3]([O:2][C:1]([H:91])([H:92])[H:93]):[C:4]([H:86]):[C:5]([C:6](=[O:7])[O:8][H:87]):[C:9]([H:88]):[C:10]:1[H:89]>>[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@@]2([H])O[C@@]([H])([O:12][C:11]3:[C:3]([O:2][C:1]([H:91])([H:92])[H:93]):[C:4]([H:86]):[C:5]([C:6](=[O:7])[O:8][H:87]):[C:9]([H:88]):[C:10]:3[H:89])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])O[C@@]([H])(C([H])([H])[H])[C@]1([H])O[H]
Derived Operators
EVODEX.1-F475 - Elemental Balance
| C | 12 |
| O | 9 |
| H | 20 |
EVODEX.1-M454 - Mass Difference
308.1107
EVODEX.1-E1289 - Reaction Operator E
[#8:44](-[#6:45])-[H]>>[#8:44](-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#6@]2(-[H])-[#8]-[#6@](-[#6](-[H])(-[H])-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])-[#6:45]
EVODEX.1-C536 - Reaction Operator C
[H]-[#8:44]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#8]-[#6](-[H])(-[H])-[#6@@]2(-[H])-[#8]-[#6@@](-[H])(-[#8:44])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-2(-[H])-[#8]-[H])-[#8]-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6@]-1(-[H])-[#8]-[H]
EVODEX.1-N684 - Reaction Operator N
[H]-[#8:44]-[#6:45]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#8]-[#6](-[H])(-[H])-[#6@@]2(-[H])-[#8]-[#6@@](-[H])(-[#8:44]-[#6:45])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-2(-[H])-[#8]-[H])-[#8]-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6@]-1(-[H])-[#8]-[H]
Source Full Reactions
EVODEX.1-R5225
[C:13]([C@:14]1([H:56])[O:15][C@:16]([O:17][C:18]([C@@:19]2([H:57])[O:20][C@:21]([O:22][C:23]3:[C:24]([C:25]4:[C:26]([H:58]):[C:27]([H:59]):[C:28]([O:29][H:60]):[C:30]([O:31][H:61]):[C:32]:4[H:62]):[O:33]:[C:34]4:[C:35]([H:63]):[C:36]([O:37][H:64]):[C:38]([H:65]):[C:39]([O:40][H:66]):[C:41]:4:[C:42]:3=[O:43])([H:67])[C@@:44]([O:45][H:68])([H:69])[C@:46]([O:47][H:70])([H:71])[C@@:48]2([O:49][H:72])[H:73])([H:74])[H:75])([H:76])[C@@:50]([O:51][H:77])([H:78])[C@@:52]([O:53][H:79])([H:80])[C@:54]1([O:55][H:81])[H:82])([H:83])([H:84])[H:85].[H][O:12][C:11]1:[C:3]([O:2][C:1]([H:91])([H:92])[H:93]):[C:4]([H:86]):[C:5]([C:6](=[O:7])[O:8][H:87]):[C:9]([H:88]):[C:10]:1[H:89]>>[C:1]([O:2][C:3]1:[C:4]([H:86]):[C:5]([C:6](=[O:7])[O:8][H:87]):[C:9]([H:88]):[C:10]([H:89]):[C:11]:1[O:12][C@:21]1([H:67])[O:20][C@@:19]([C:18]([O:17][C@:16]2([H:76])[O:15][C@:14]([C:13]([H:83])([H:84])[H:85])([H:56])[C@@:54]([O:55][H:81])([H:82])[C@:52]([O:53][H:79])([H:80])[C@:50]2([O:51][H:77])[H:78])([H:74])[H:75])([H:57])[C@:48]([O:49][H:72])([H:73])[C@@:46]([O:47][H:70])([H:71])[C@:44]1([O:45][H:68])[H:69])([H:91])([H:92])[H:93].[H][O:22][C:23]1:[C:24]([C:25]2:[C:26]([H:58]):[C:27]([H:59]):[C:28]([O:29][H:60]):[C:30]([O:31][H:61]):[C:32]:2[H:62]):[O:33]:[C:34]2:[C:35]([H:63]):[C:36]([O:37][H:64]):[C:38]([H:65]):[C:39]([O:40][H:66]):[C:41]:2:[C:42]:1=[O:43]