SMIRKS
[H]OP(=O)(O[H])O[C@@:6]1([H:42])[O:7][C@:8]([C:9]([O:10][H:43])([H:44])[H:45])([H:46])[C@:11]([O:12][C@:13]2([H:47])[O:14][C@@:15]([C:16]([O:17][H:48])([H:49])[H:50])([H:51])[C@:18]([O:19][H:52])([H:53])[C@@:20]([O:21][H:54])([H:55])[C@:22]2([O:23][H:56])[H:57])([H:58])[C@@:24]([O:25][H:59])([H:60])[C@:26]1([O:27][H:61])[H:62].[H][O:39][C@:38]1([H:71])[C@@:30]([C:29]([O:28][H:74])([H:72])[H:73])([H:63])[O:31][C@:32]([O:33][H:64])([H:65])[C@@:34]([O:35][H:66])([H:67])[C@:36]1([O:37][H:68])[H:69]>>[C@@:6]1([O:39][C@:38]2([H:71])[C@@:30]([C:29]([O:28][H:74])([H:72])[H:73])([H:63])[O:31][C@:32]([O:33][H:64])([H:65])[C@@:34]([O:35][H:66])([H:67])[C@:36]2([O:37][H:68])[H:69])([H:42])[O:7][C@:8]([C:9]([O:10][H:43])([H:44])[H:45])([H:46])[C@:11]([O:12][C@:13]2([H:47])[O:14][C@@:15]([C:16]([O:17][H:48])([H:49])[H:50])([H:51])[C@:18]([O:19][H:52])([H:53])[C@@:20]([O:21][H:54])([H:55])[C@:22]2([O:23][H:56])[H:57])([H:58])[C@@:24]([O:25][H:59])([H:60])[C@:26]1([O:27][H:61])[H:62]
Derived Operators
EVODEX.1-F175 - Elemental Balance
| P | -1 |
| O | -4 |
| H | -3 |
EVODEX.1-M10 - Mass Difference
-97.97689
EVODEX.1-E859 - Reaction Operator E
[#8]=[#15](-[#8]-[H])(-[#8]-[H])-[#8]-[#6@@:6](-[H:45])(-[#8:7])-[#6@:13].[#8:15]-[#6@:16](-[H:54])(-[#6@:17])-[#6@@:41](-[#6:40])(-[#8:42]-[H])-[H:78]>>[#8:42](-[#6@:6](-[H:45])(-[#8:7])-[#6@:13])-[#6@@:41](-[H:78])(-[#6@@:16](-[#8:15])(-[H:54])-[#6@:17])-[#6:40]
EVODEX.1-C76 - Reaction Operator C
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:6].[H]-[#8:1]>>[#8:1]-[#6:6]
EVODEX.1-N74 - Reaction Operator N
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:6](-[H:51])(-[#8:7])-[#6@:15].[H]-[#8:48]-[#6@:47]>>[#8:48](-[#6@:6](-[H:51])(-[#8:7])-[#6@:15])-[#6@:47]
EVODEX.1-Em13 - Reaction Operator Em
[#15]-[#8]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:53]-[#6:52]>>[#6:19](-[#8:53]-[#6:52])(-[#8:20])-[#6:26]
EVODEX.1-Nm17 - Reaction Operator Nm
[#15]-[#8]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:53]-[#6:52]>>[#6:19](-[#8:53]-[#6:52])(-[#8:20])-[#6:26]
Source Full Reactions
EVODEX.1-R2962
[O:1]=[P:2]([O:3][H:40])([O:4][H:41])[O:5][C@@:6]1([H:42])[O:7][C@:8]([C:9]([O:10][H:43])([H:44])[H:45])([H:46])[C@:11]([O:12][C@:13]2([H:47])[O:14][C@@:15]([C:16]([O:17][H:48])([H:49])[H:50])([H:51])[C@:18]([O:19][H:52])([H:53])[C@@:20]([O:21][H:54])([H:55])[C@:22]2([O:23][H:56])[H:57])([H:58])[C@@:24]([O:25][H:59])([H:60])[C@:26]1([O:27][H:61])[H:62].[H][O:39][C@:38]1([H:71])[C@@:30]([C:29]([O:28][H:74])([H:72])[H:73])([H:63])[O:31][C@:32]([O:33][H:64])([H:65])[C@@:34]([O:35][H:66])([H:67])[C@:36]1([O:37][H:68])[H:69]>>[C@@:6]1([O:39][C@:38]2([H:71])[C@@:30]([C:29]([O:28][H:74])([H:72])[H:73])([H:63])[O:31][C@:32]([O:33][H:64])([H:65])[C@@:34]([O:35][H:66])([H:67])[C@:36]2([O:37][H:68])[H:69])([H:42])[O:7][C@:8]([C:9]([O:10][H:43])([H:44])[H:45])([H:46])[C@:11]([O:12][C@:13]2([H:47])[O:14][C@@:15]([C:16]([O:17][H:48])([H:49])[H:50])([H:51])[C@:18]([O:19][H:52])([H:53])[C@@:20]([O:21][H:54])([H:55])[C@:22]2([O:23][H:56])[H:57])([H:58])[C@@:24]([O:25][H:59])([H:60])[C@:26]1([O:27][H:61])[H:62].[H][O:5][P:2](=[O:1])([O:3][H:40])[O:4][H:41]