SMIRKS
[H]OP(=O)(O[H])OP(=O)(O[H])O[C:15]([C:14](=[C:12]([C:11]([C:10]([C:9](=[C:7]([C:6]([C:5]([C:4](=[C:2]([C:1]([H:51])([H:52])[H:53])[C:3]([H:26])([H:27])[H:28])[H:50])([H:48])[H:49])([H:46])[H:47])[C:8]([H:29])([H:30])[H:31])[H:45])([H:43])[H:44])([H:41])[H:42])[C:13]([H:32])([H:33])[H:34])[H:40])([H:38])[H:39].[H][O:25][H:54]>>[C:1]([C:2]([C:3]([H:26])([H:27])[H:28])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:29])([H:30])[H:31])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:32])([H:33])[H:34])=[C:14]([C:15]([O:25][H:54])([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]
Derived Operators
EVODEX.1-F111 - Elemental Balance
| P | -2 |
| O | -7 |
| H | -4 |
EVODEX.1-M8 - Mass Difference
-177.94322
EVODEX.1-E708 - Reaction Operator E
[#6:9](-[#6@@:8])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H:33])-[H:34].[#8:26](-[H:42])-[H]>>[#6:9](-[#6@@:8])(-[#8:26]-[H:42])(-[H:33])-[H:34]
EVODEX.1-C169 - Reaction Operator C
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:10].[H]-[#8:20]>>[#6:10]-[#8:20]
EVODEX.1-N1096 - Reaction Operator N
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:10](-[#6:9])(-[H:30])-[H:31].[H]-[#8:20]-[H:43]>>[#6:9]-[#6:10](-[#8:20]-[H:43])(-[H:30])-[H:31]
EVODEX.1-Em104 - Reaction Operator Em
[#15]-[#8]-[#6:12]-[#6:11].[H]-[#8:37]>>[#6:11]-[#6:12]-[#8:37]
EVODEX.1-Nm137 - Reaction Operator Nm
[#15]-[#8]-[#6:12]-[#6:11].[H]-[#8:37]>>[#6:11]-[#6:12]-[#8:37]
Source Full Reactions
EVODEX.1-R5075
[C:1]([C:2]([C:3]([H:26])([H:27])[H:28])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:29])([H:30])[H:31])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:32])([H:33])[H:34])=[C:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:35])[O:20][P:21](=[O:22])([O:23][H:36])[O:24][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:25][H:54]>>[C:1]([C:2]([C:3]([H:26])([H:27])[H:28])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:29])([H:30])[H:31])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:32])([H:33])[H:34])=[C:14]([C:15]([O:25][H:54])([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:16][P:17](=[O:18])([O:19][H:35])[O:20][P:21](=[O:22])([O:23][H:36])[O:24][H:37]