SMIRKS
[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)[O:44][C:43]([C@@:42]([O:41][C:39]([C:38]([C:37]([C:36]([C:35]([C:34]([C:33]([C:32]([C:31]([C:30]([C:29]([C:28]([C:27]([C:26]([C:25]([C:24]([C:23]([C:22]([H:186])([H:187])[H:188])([H:184])[H:185])([H:182])[H:183])([H:180])[H:181])([H:178])[H:179])([H:176])[H:177])([H:174])[H:175])([H:172])[H:173])([H:170])[H:171])([H:168])[H:169])([H:166])[H:167])([H:164])[H:165])([H:162])[H:163])([H:160])[H:161])([H:158])[H:159])([H:156])[H:157])([H:154])[H:155])=[O:40])([C:62]([O:63][P:64](=[O:65])([O:66][H:137])[O:67][C:68]([C:69]([N+:70]([C:71]([H:138])([H:139])[H:140])([C:72]([H:141])([H:142])[H:143])[C:73]([H:144])([H:145])[H:146])([H:147])[H:148])([H:149])[H:150])([H:151])[H:152])[H:153])([H:135])[H:136]>>[H][O:44][C:43]([C@@:42]([O:41][C:39]([C:38]([C:37]([C:36]([C:35]([C:34]([C:33]([C:32]([C:31]([C:30]([C:29]([C:28]([C:27]([C:26]([C:25]([C:24]([C:23]([C:22]([H:186])([H:187])[H:188])([H:184])[H:185])([H:182])[H:183])([H:180])[H:181])([H:178])[H:179])([H:176])[H:177])([H:174])[H:175])([H:172])[H:173])([H:170])[H:171])([H:168])[H:169])([H:166])[H:167])([H:164])[H:165])([H:162])[H:163])([H:160])[H:161])([H:158])[H:159])([H:156])[H:157])([H:154])[H:155])=[O:40])([C:62]([O:63][P:64](=[O:65])([O:66][H:137])[O:67][C:68]([C:69]([N+:70]([C:71]([H:138])([H:139])[H:140])([C:72]([H:141])([H:142])[H:143])[C:73]([H:144])([H:145])[H:146])([H:147])[H:148])([H:149])[H:150])([H:151])[H:152])[H:153])([H:135])[H:136]
Derived Operators
EVODEX.1-F17 - Elemental Balance
| O | -1 |
| C | -16 |
| H | -30 |
EVODEX.1-M93 - Mass Difference
-238.2298
EVODEX.1-E455 - Reaction Operator E
[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8:18]-[#6:19])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H]>>[#8:18](-[#6:19])-[H]
EVODEX.1-C282 - Reaction Operator C
[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:18]>>[H]-[#8:18]
EVODEX.1-N317 - Reaction Operator N
[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:18]-[#6:19]>>[H]-[#8:18]-[#6:19]
Source Full Reactions
EVODEX.1-R2013
[H][O:15][C:14]([C:13](=[C:11]([C:10](=[C:9]([C:8](=[C:6]([C:5](=[C:4]([C:3]1=[C:2]([C:1]([H:101])([H:102])[H:103])[C:21]([H:99])([H:100])[C:20]([H:97])([H:98])[C:19]([H:95])([H:96])[C:16]1([C:17]([H:89])([H:90])[H:91])[C:18]([H:92])([H:93])[H:94])[H:88])[H:87])[C:7]([H:74])([H:75])[H:76])[H:86])[H:85])[H:84])[C:12]([H:77])([H:78])[H:79])[H:83])([H:81])[H:82].[C:22]([C:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([C:38]([C:39](=[O:40])[O:41][C@:42]([C:43]([O:44][C:45](=[O:46])[C:47]([C:48]([C:49]([C:50]([C:51]([C:52]([C:53]([C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61]([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])([C:62]([O:63][P:64](=[O:65])([O:66][H:137])[O:67][C:68]([C:69]([N+:70]([C:71]([H:138])([H:139])[H:140])([C:72]([H:141])([H:142])[H:143])[C:73]([H:144])([H:145])[H:146])([H:147])[H:148])([H:149])[H:150])([H:151])[H:152])[H:153])([H:154])[H:155])([H:156])[H:157])([H:158])[H:159])([H:160])[H:161])([H:162])[H:163])([H:164])[H:165])([H:166])[H:167])([H:168])[H:169])([H:170])[H:171])([H:172])[H:173])([H:174])[H:175])([H:176])[H:177])([H:178])[H:179])([H:180])[H:181])([H:182])[H:183])([H:184])[H:185])([H:186])([H:187])[H:188]>>[C:1]([C:2]1=[C:3]([C:4](=[C:5]([C:6]([C:7]([H:74])([H:75])[H:76])=[C:8]([C:9](=[C:10]([C:11]([C:12]([H:77])([H:78])[H:79])=[C:13]([C:14]([O:15][C:45](=[O:46])[C:47]([C:48]([C:49]([C:50]([C:51]([C:52]([C:53]([C:54]([C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61]([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:81])[H:82])[H:83])[H:84])[H:85])[H:86])[H:87])[H:88])[C:16]([C:17]([H:89])([H:90])[H:91])([C:18]([H:92])([H:93])[H:94])[C:19]([H:95])([H:96])[C:20]([H:97])([H:98])[C:21]1([H:99])[H:100])([H:101])([H:102])[H:103].[H][O:44][C:43]([C@@:42]([O:41][C:39]([C:38]([C:37]([C:36]([C:35]([C:34]([C:33]([C:32]([C:31]([C:30]([C:29]([C:28]([C:27]([C:26]([C:25]([C:24]([C:23]([C:22]([H:186])([H:187])[H:188])([H:184])[H:185])([H:182])[H:183])([H:180])[H:181])([H:178])[H:179])([H:176])[H:177])([H:174])[H:175])([H:172])[H:173])([H:170])[H:171])([H:168])[H:169])([H:166])[H:167])([H:164])[H:165])([H:162])[H:163])([H:160])[H:161])([H:158])[H:159])([H:156])[H:157])([H:154])[H:155])=[O:40])([C:62]([O:63][P:64](=[O:65])([O:66][H:137])[O:67][C:68]([C:69]([N+:70]([C:71]([H:138])([H:139])[H:140])([C:72]([H:141])([H:142])[H:143])[C:73]([H:144])([H:145])[H:146])([H:147])[H:148])([H:149])[H:150])([H:151])[H:152])[H:153])([H:135])[H:136]