SMIRKS
[H][C:4]([C:2](=[C:1]([H:54])[H:55])[C:3]([H:44])([H:45])[H:46])([C:5]([O:6][P:7](=[O:8])([O:9][H:47])[O:10][P:11](=[O:12])([O:13][H:48])[O:14][H:49])([H:50])[H:51])[H:52].[H]OP(=O)(O[H])OP(=O)(O[H])O[C:34]([C:33](=[C:31]([C:30]([C:29]([C:28](=[C:26]([C:25]([C:24]([C:23](=[C:21]([C:20]([C:19]([C:18](=[C:16]([C:15]([H:89])([H:90])[H:91])[C:17]([H:56])([H:57])[H:58])[H:88])([H:86])[H:87])([H:84])[H:85])[C:22]([H:59])([H:60])[H:61])[H:83])([H:81])[H:82])([H:79])[H:80])[C:27]([H:62])([H:63])[H:64])[H:78])([H:76])[H:77])([H:74])[H:75])[C:32]([H:65])([H:66])[H:67])[H:73])([H:71])[H:72]>>[C:1]([C:2]([C:3]([H:44])([H:45])[H:46])=[C:4]([C:5]([O:6][P:7](=[O:8])([O:9][H:47])[O:10][P:11](=[O:12])([O:13][H:48])[O:14][H:49])([H:50])[H:51])[H:52])([C:34]([C:33](=[C:31]([C:30]([C:29]([C:28](=[C:26]([C:25]([C:24]([C:23](=[C:21]([C:20]([C:19]([C:18](=[C:16]([C:15]([H:89])([H:90])[H:91])[C:17]([H:56])([H:57])[H:58])[H:88])([H:86])[H:87])([H:84])[H:85])[C:22]([H:59])([H:60])[H:61])[H:83])([H:81])[H:82])([H:79])[H:80])[C:27]([H:62])([H:63])[H:64])[H:78])([H:76])[H:77])([H:74])[H:75])[C:32]([H:65])([H:66])[H:67])[H:73])([H:71])[H:72])([H:54])[H:55]
Derived Operators
EVODEX.1-F111 - Elemental Balance
| P | -2 |
| O | -7 |
| H | -4 |
EVODEX.1-M8 - Mass Difference
-177.94322
EVODEX.1-E714 - Reaction Operator E
[#6:1](=[#6:2]-[#6:4](-[#6:5])(-[H:60])-[H])(-[H:62])-[H:63].[#6:33]-[#6:34](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H:76])-[H:77]>>[#6:1](-[#6:2]=[#6:4](-[#6:5])-[H:60])(-[#6:34](-[#6:33])(-[H:76])-[H:77])(-[H:62])-[H:63]
EVODEX.1-C393 - Reaction Operator C
([H]-[#6:5].[#6:1]).[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:30]>>([#6:1]-[#6:30].[#6:5])
EVODEX.1-N470 - Reaction Operator N
[H]-[#6:5](-[#6:2]=[#6:1](-[H:52])-[H:53])(-[#6:6])-[H:50].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:30](-[#6:29])(-[H:66])-[H:67]>>[#6:1](-[#6:2]=[#6:5](-[#6:6])-[H:50])(-[#6:30](-[#6:29])(-[H:66])-[H:67])(-[H:52])-[H:53]
EVODEX.1-Em507 - Reaction Operator Em
[H]-[#6:5](-[#6:2]=[#6:1])-[#6:6].[#15]-[#8]-[#6:30]-[#6:29]>>[#6:1](-[#6:2]=[#6:5]-[#6:6])-[#6:30]-[#6:29]
EVODEX.1-Nm458 - Reaction Operator Nm
[H]-[#6:5](-[#6:2]=[#6:1])-[#6:6].[#15]-[#8]-[#6:30]-[#6:29]>>[#6:1](-[#6:2]=[#6:5]-[#6:6])-[#6:30]-[#6:29]
Source Full Reactions
EVODEX.1-R3337
[H][C:4]([C:2](=[C:1]([H:54])[H:55])[C:3]([H:44])([H:45])[H:46])([C:5]([O:6][P:7](=[O:8])([O:9][H:47])[O:10][P:11](=[O:12])([O:13][H:48])[O:14][H:49])([H:50])[H:51])[H:52].[C:15]([C:16]([C:17]([H:56])([H:57])[H:58])=[C:18]([C:19]([C:20]([C:21]([C:22]([H:59])([H:60])[H:61])=[C:23]([C:24]([C:25]([C:26]([C:27]([H:62])([H:63])[H:64])=[C:28]([C:29]([C:30]([C:31]([C:32]([H:65])([H:66])[H:67])=[C:33]([C:34]([O:35][P:36](=[O:37])([O:38][H:68])[O:39][P:40](=[O:41])([O:42][H:69])[O:43][H:70])([H:71])[H:72])[H:73])([H:74])[H:75])([H:76])[H:77])[H:78])([H:79])[H:80])([H:81])[H:82])[H:83])([H:84])[H:85])([H:86])[H:87])[H:88])([H:89])([H:90])[H:91]>>[C:1]([C:2]([C:3]([H:44])([H:45])[H:46])=[C:4]([C:5]([O:6][P:7](=[O:8])([O:9][H:47])[O:10][P:11](=[O:12])([O:13][H:48])[O:14][H:49])([H:50])[H:51])[H:52])([C:34]([C:33](=[C:31]([C:30]([C:29]([C:28](=[C:26]([C:25]([C:24]([C:23](=[C:21]([C:20]([C:19]([C:18](=[C:16]([C:15]([H:89])([H:90])[H:91])[C:17]([H:56])([H:57])[H:58])[H:88])([H:86])[H:87])([H:84])[H:85])[C:22]([H:59])([H:60])[H:61])[H:83])([H:81])[H:82])([H:79])[H:80])[C:27]([H:62])([H:63])[H:64])[H:78])([H:76])[H:77])([H:74])[H:75])[C:32]([H:65])([H:66])[H:67])[H:73])([H:71])[H:72])([H:54])[H:55].[H][O:35][P:36](=[O:37])([O:38][H:68])[O:39][P:40](=[O:41])([O:42][H:69])[O:43][H:70]