SMIRKS
[H]OP(=O)(O[H])O[C:55]([C:54]([C:52]([C:51]([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]([C:30]([C:29](=[C:27]([C:26]([C:25]([C:24](=[C:22]([C: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:152])([H:153])[H:154])[C:3]([H:62])([H:63])[H:64])[H:151])([H:149])[H:150])([H:147])[H:148])[C:8]([H:65])([H:66])[H:67])[H:146])([H:144])[H:145])([H:142])[H:143])[C:13]([H:68])([H:69])[H:70])[H:141])([H:139])[H:140])([H:137])[H:138])[C:18]([H:71])([H:72])[H:73])[H:136])([H:134])[H:135])([H:132])[H:133])[C:23]([H:74])([H:75])[H:76])[H:131])([H:129])[H:130])([H:127])[H:128])[C:28]([H:77])([H:78])[H:79])[H:126])([H:124])[H:125])([H:122])[H:123])[C:33]([H:80])([H:81])[H:82])[H:121])([H:119])[H:120])([H:117])[H:118])[C:38]([H:83])([H:84])[H:85])[H:116])([H:114])[H:115])([H:112])[H:113])[C:43]([H:86])([H:87])[H:88])[H:111])([H:109])[H:110])([H:107])[H:108])[C:48]([H:89])([H:90])[H:91])[H:106])([H:104])[H:105])([H:102])[H:103])([C:53]([H:92])([H:93])[H:94])[H:101])([H:99])[H:100])([H:97])[H:98].[H][O:61][H:155]>>[C:1]([C:2]([C:3]([H:62])([H:63])[H:64])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:65])([H:66])[H:67])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:68])([H:69])[H:70])=[C:14]([C:15]([C:16]([C:17]([C:18]([H:71])([H:72])[H:73])=[C:19]([C:20]([C:21]([C:22]([C:23]([H:74])([H:75])[H:76])=[C:24]([C:25]([C:26]([C:27]([C:28]([H:77])([H:78])[H:79])=[C:29]([C:30]([C:31]([C:32]([C:33]([H:80])([H:81])[H:82])=[C:34]([C:35]([C:36]([C:37]([C:38]([H:83])([H:84])[H:85])=[C:39]([C:40]([C:41]([C:42]([C:43]([H:86])([H:87])[H:88])=[C:44]([C:45]([C:46]([C:47]([C:48]([H:89])([H:90])[H:91])=[C:49]([C:50]([C:51]([C:52]([C:53]([H:92])([H:93])[H:94])([C:54]([C:55]([O:61][H:155])([H:97])[H:98])([H:99])[H:100])[H:101])([H:102])[H:103])([H:104])[H:105])[H:106])([H:107])[H:108])([H:109])[H:110])[H:111])([H:112])[H:113])([H:114])[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])([H:137])[H:138])([H:139])[H:140])[H:141])([H:142])[H:143])([H:144])[H:145])[H:146])([H:147])[H:148])([H:149])[H:150])[H:151])([H:152])([H:153])[H:154]
Derived Operators
EVODEX.1-F175 - Elemental Balance
| P | -1 |
| O | -4 |
| H | -3 |
EVODEX.1-M10 - Mass Difference
-97.97689
EVODEX.1-E851 - Reaction Operator E
[#6:4]-[#6:5](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H:19])-[H:20].[#8:15](-[H:29])-[H]>>[#6:4]-[#6:5](-[#8:15]-[H:29])(-[H:19])-[H:20]
EVODEX.1-C76 - Reaction Operator C
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:6].[H]-[#8:1]>>[#8:1]-[#6:6]
EVODEX.1-N1122 - Reaction Operator N
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:6](-[#6:5])(-[H:20])-[H:21].[H]-[#8:1]-[H:25]>>[#8:1](-[#6:6](-[#6:5])(-[H:20])-[H:21])-[H:25]
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-R5063
[C:1]([C:2]([C:3]([H:62])([H:63])[H:64])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:65])([H:66])[H:67])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:68])([H:69])[H:70])=[C:14]([C:15]([C:16]([C:17]([C:18]([H:71])([H:72])[H:73])=[C:19]([C:20]([C:21]([C:22]([C:23]([H:74])([H:75])[H:76])=[C:24]([C:25]([C:26]([C:27]([C:28]([H:77])([H:78])[H:79])=[C:29]([C:30]([C:31]([C:32]([C:33]([H:80])([H:81])[H:82])=[C:34]([C:35]([C:36]([C:37]([C:38]([H:83])([H:84])[H:85])=[C:39]([C:40]([C:41]([C:42]([C:43]([H:86])([H:87])[H:88])=[C:44]([C:45]([C:46]([C:47]([C:48]([H:89])([H:90])[H:91])=[C:49]([C:50]([C:51]([C:52]([C:53]([H:92])([H:93])[H:94])([C:54]([C:55]([O:56][P:57](=[O:58])([O:59][H:95])[O:60][H:96])([H:97])[H:98])([H:99])[H:100])[H:101])([H:102])[H:103])([H:104])[H:105])[H:106])([H:107])[H:108])([H:109])[H:110])[H:111])([H:112])[H:113])([H:114])[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])([H:137])[H:138])([H:139])[H:140])[H:141])([H:142])[H:143])([H:144])[H:145])[H:146])([H:147])[H:148])([H:149])[H:150])[H:151])([H:152])([H:153])[H:154].[H][O:61][H:155]>>[C:1]([C:2]([C:3]([H:62])([H:63])[H:64])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:65])([H:66])[H:67])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:68])([H:69])[H:70])=[C:14]([C:15]([C:16]([C:17]([C:18]([H:71])([H:72])[H:73])=[C:19]([C:20]([C:21]([C:22]([C:23]([H:74])([H:75])[H:76])=[C:24]([C:25]([C:26]([C:27]([C:28]([H:77])([H:78])[H:79])=[C:29]([C:30]([C:31]([C:32]([C:33]([H:80])([H:81])[H:82])=[C:34]([C:35]([C:36]([C:37]([C:38]([H:83])([H:84])[H:85])=[C:39]([C:40]([C:41]([C:42]([C:43]([H:86])([H:87])[H:88])=[C:44]([C:45]([C:46]([C:47]([C:48]([H:89])([H:90])[H:91])=[C:49]([C:50]([C:51]([C:52]([C:53]([H:92])([H:93])[H:94])([C:54]([C:55]([O:61][H:155])([H:97])[H:98])([H:99])[H:100])[H:101])([H:102])[H:103])([H:104])[H:105])[H:106])([H:107])[H:108])([H:109])[H:110])[H:111])([H:112])[H:113])([H:114])[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])([H:137])[H:138])([H:139])[H:140])[H:141])([H:142])[H:143])([H:144])[H:145])[H:146])([H:147])[H:148])([H:149])[H:150])[H:151])([H:152])([H:153])[H:154].[H][O:56][P:57](=[O:58])([O:59][H:95])[O:60][H:96]