SMIRKS
[H][O:24][C@:23]([C:22]([O:21][C:20]([C:19](=[C:17]([C:16]([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:98])([H:99])[H:100])[C:3]([H:60])([H:61])[H:62])[H:97])([H:95])[H:96])([H:93])[H:94])[C:8]([H:63])([H:64])[H:65])[H:92])([H:90])[H:91])([H:88])[H:89])[C:13]([H:66])([H:67])[H:68])[H:87])([H:85])[H:86])([H:83])[H:84])[C:18]([H:69])([H:70])[H:71])[H:82])([H:80])[H:81])([H:78])[H:79])([C:25]([O:26][P:27](=[O:28])([O:29][H:73])[O:30][H:74])([H:75])[H:76])[H:77].[H]OP(=O)(O[H])OP(=O)(O[H])O[C:50]([C:49](=[C:47]([C:46]([C:45]([C:44](=[C:42]([C:41]([C:40]([C:39](=[C:37]([C:36]([C:35]([C:34](=[C:32]([C:31]([H:134])([H:135])[H:136])[C:33]([H:101])([H:102])[H:103])[H:133])([H:131])[H:132])([H:129])[H:130])[C:38]([H:104])([H:105])[H:106])[H:128])([H:126])[H:127])([H:124])[H:125])[C:43]([H:107])([H:108])[H:109])[H:123])([H:121])[H:122])([H:119])[H:120])[C:48]([H:110])([H:111])[H:112])[H:118])([H:116])[H:117]>>[C:1]([C:2]([C:3]([H:60])([H:61])[H:62])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:63])([H:64])[H:65])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:66])([H:67])[H:68])=[C:14]([C:15]([C:16]([C:17]([C:18]([H:69])([H:70])[H:71])=[C:19]([C:20]([O:21][C:22]([C@@:23]([O:24][C:50]([C:49](=[C:47]([C:46]([C:45]([C:44](=[C:42]([C:41]([C:40]([C:39](=[C:37]([C:36]([C:35]([C:34](=[C:32]([C:31]([H:134])([H:135])[H:136])[C:33]([H:101])([H:102])[H:103])[H:133])([H:131])[H:132])([H:129])[H:130])[C:38]([H:104])([H:105])[H:106])[H:128])([H:126])[H:127])([H:124])[H:125])[C:43]([H:107])([H:108])[H:109])[H:123])([H:121])[H:122])([H:119])[H:120])[C:48]([H:110])([H:111])[H:112])[H:118])([H:116])[H:117])([C:25]([O:26][P:27](=[O:28])([O:29][H:73])[O:30][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])[H:92])([H:93])[H:94])([H:95])[H:96])[H:97])([H:98])([H:99])[H:100]
Derived Operators
EVODEX.1-F111 - Elemental Balance
| P | -2 |
| O | -7 |
| H | -4 |
EVODEX.1-M8 - Mass Difference
-177.94322
EVODEX.1-E709 - Reaction Operator E
[#6:12](-[#6@@:11])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H:56])-[H:57].[#6:31]-[#8:32]-[H]>>[#6:12](-[#6@@:11])(-[#8:32]-[#6:31])(-[H:56])-[H:57]
EVODEX.1-C1278 - Reaction Operator C
[H]-[#8:24]-[#6@:23].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:50]>>[#8:24](-[#6@@:23])-[#6:50]
EVODEX.1-N1593 - Reaction Operator N
[H]-[#8:24]-[#6@:23](-[#6:22])(-[#6:25])-[H:77].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:50](-[#6:49])(-[H:116])-[H:117]>>[#6:22]-[#6@@:23](-[#8:24]-[#6:50](-[#6:49])(-[H:116])-[H:117])(-[#6:25])-[H:77]
EVODEX.1-Em512 - Reaction Operator Em
[H]-[#8:24]-[#6:23].[#15]-[#8]-[#6:50]-[#6:49]>>[#6:23]-[#8:24]-[#6:50]-[#6:49]
EVODEX.1-Nm463 - Reaction Operator Nm
[H]-[#8:24]-[#6:23].[#15]-[#8]-[#6:50]-[#6:49]>>[#6:23]-[#8:24]-[#6:50]-[#6:49]
Source Full Reactions
EVODEX.1-R3343
[H][O:24][C@:23]([C:22]([O:21][C:20]([C:19](=[C:17]([C:16]([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:98])([H:99])[H:100])[C:3]([H:60])([H:61])[H:62])[H:97])([H:95])[H:96])([H:93])[H:94])[C:8]([H:63])([H:64])[H:65])[H:92])([H:90])[H:91])([H:88])[H:89])[C:13]([H:66])([H:67])[H:68])[H:87])([H:85])[H:86])([H:83])[H:84])[C:18]([H:69])([H:70])[H:71])[H:82])([H:80])[H:81])([H:78])[H:79])([C:25]([O:26][P:27](=[O:28])([O:29][H:73])[O:30][H:74])([H:75])[H:76])[H:77].[C:31]([C:32]([C:33]([H:101])([H:102])[H:103])=[C:34]([C:35]([C:36]([C:37]([C:38]([H:104])([H:105])[H:106])=[C:39]([C:40]([C:41]([C:42]([C:43]([H:107])([H:108])[H:109])=[C:44]([C:45]([C:46]([C:47]([C:48]([H:110])([H:111])[H:112])=[C:49]([C:50]([O:51][P:52](=[O:53])([O:54][H:113])[O:55][P:56](=[O:57])([O:58][H:114])[O:59][H:115])([H:116])[H:117])[H:118])([H:119])[H:120])([H:121])[H:122])[H:123])([H:124])[H:125])([H:126])[H:127])[H:128])([H:129])[H:130])([H:131])[H:132])[H:133])([H:134])([H:135])[H:136]>>[C:1]([C:2]([C:3]([H:60])([H:61])[H:62])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:63])([H:64])[H:65])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:66])([H:67])[H:68])=[C:14]([C:15]([C:16]([C:17]([C:18]([H:69])([H:70])[H:71])=[C:19]([C:20]([O:21][C:22]([C@@:23]([O:24][C:50]([C:49](=[C:47]([C:46]([C:45]([C:44](=[C:42]([C:41]([C:40]([C:39](=[C:37]([C:36]([C:35]([C:34](=[C:32]([C:31]([H:134])([H:135])[H:136])[C:33]([H:101])([H:102])[H:103])[H:133])([H:131])[H:132])([H:129])[H:130])[C:38]([H:104])([H:105])[H:106])[H:128])([H:126])[H:127])([H:124])[H:125])[C:43]([H:107])([H:108])[H:109])[H:123])([H:121])[H:122])([H:119])[H:120])[C:48]([H:110])([H:111])[H:112])[H:118])([H:116])[H:117])([C:25]([O:26][P:27](=[O:28])([O:29][H:73])[O:30][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])[H:92])([H:93])[H:94])([H:95])[H:96])[H:97])([H:98])([H:99])[H:100].[H][O:51][P:52](=[O:53])([O:54][H:113])[O:55][P:56](=[O:57])([O:58][H:114])[O:59][H:115]