SMIRKS
[H]C(=C([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])[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:41][C:42]([C@:43]([C:44]([O:45][P:46](=[O:47])([O:48][H:106])[O:49][C:50]([C:51]([N+:52]([C:53]([H:107])([H:108])[H:109])([C:54]([H:110])([H:111])[H:112])[C:55]([H:113])([H:114])[H:115])([H:116])[H:117])([H:118])[H:119])([H:120])[H:121])([O:56][C:57](=[O:58])[C:59]([C:60]([C:61]([C:62]([C:63]([C:64]([C:65]([C:66](=[C:67]([C:68]([C:69]([C:70]([C:71]([C:72]([C:73]([C:74]([C:75]([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:155])([H:156])[H:157]>>[H][O:41][C:42]([C@:43]([C:44]([O:45][P:46](=[O:47])([O:48][H:106])[O:49][C:50]([C:51]([N+:52]([C:53]([H:107])([H:108])[H:109])([C:54]([H:110])([H:111])[H:112])[C:55]([H:113])([H:114])[H:115])([H:116])[H:117])([H:118])[H:119])([H:120])[H:121])([O:56][C:57](=[O:58])[C:59]([C:60]([C:61]([C:62]([C:63]([C:64]([C:65]([C:66](=[C:67]([C:68]([C:69]([C:70]([C:71]([C:72]([C:73]([C:74]([C:75]([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:155])([H:156])[H:157]
Derived Operators
EVODEX.1-F128 - Elemental Balance
| O | -1 |
| C | -18 |
| H | -32 |
EVODEX.1-M244 - Mass Difference
-264.24546
EVODEX.1-E769 - Reaction Operator E
[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#8])-[#8:20]-[#6@@:21])(-[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])(-[H])-[H]>>[#8:20](-[#6@@:21])-[H]
EVODEX.1-C287 - Reaction Operator C
[H]-[#6](=[#6](-[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])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:20]>>[H]-[#8:20]
EVODEX.1-N322 - Reaction Operator N
[H]-[#6](=[#6](-[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])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:20]-[#6@@:21]>>[H]-[#8:20]-[#6@@:21]
Source Full Reactions
EVODEX.1-R2021
[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:103])([H:104])[H:105])[C:21]([H:101])([H:102])[C:20]([H:99])([H:100])[C:19]([H:97])([H:98])[C:16]1([C:17]([H:91])([H:92])[H:93])[C:18]([H:94])([H:95])[H:96])[H:90])[H:89])[C:7]([H:76])([H:77])[H:78])[H:88])[H:87])[H:86])[C:12]([H:79])([H:80])[H:81])[H:85])([H:83])[H:84].[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]([C:44]([O:45][P:46](=[O:47])([O:48][H:106])[O:49][C:50]([C:51]([N+:52]([C:53]([H:107])([H:108])[H:109])([C:54]([H:110])([H:111])[H:112])[C:55]([H:113])([H:114])[H:115])([H:116])[H:117])([H:118])[H:119])([H:120])[H:121])([O:56][C:57](=[O:58])[C:59]([C:60]([C:61]([C:62]([C:63]([C:64]([C:65]([C:66](=[C:67]([C:68]([C:69]([C:70]([C:71]([C:72]([C:73]([C:74]([C:75]([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: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])([H:189])[H:190]>>[C:1]([C:2]1=[C:3]([C:4](=[C:5]([C:6]([C:7]([H:76])([H:77])[H:78])=[C:8]([C:9](=[C:10]([C:11]([C:12]([H:79])([H:80])[H:81])=[C:13]([C:14]([O:15][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:188])([H:189])[H:190])([H:186])[H:187])([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:173])[H:172])([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])=[O:40])([H:83])[H:84])[H:85])[H:86])[H:87])[H:88])[H:89])[H:90])[C:16]([C:17]([H:91])([H:92])[H:93])([C:18]([H:94])([H:95])[H:96])[C:19]([H:97])([H:98])[C:20]([H:99])([H:100])[C:21]1([H:101])[H:102])([H:103])([H:104])[H:105].[H][O:41][C:42]([C@:43]([C:44]([O:45][P:46](=[O:47])([O:48][H:106])[O:49][C:50]([C:51]([N+:52]([C:53]([H:107])([H:108])[H:109])([C:54]([H:110])([H:111])[H:112])[C:55]([H:113])([H:114])[H:115])([H:116])[H:117])([H:118])[H:119])([H:120])[H:121])([O:56][C:57](=[O:58])[C:59]([C:60]([C:61]([C:62]([C:63]([C:64]([C:65]([C:66](=[C:67]([C:68]([C:69]([C:70]([C:71]([C:72]([C:73]([C:74]([C:75]([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:155])([H:156])[H:157]
EVODEX.1-R4877
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:20][C:21]([C@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:56])[O:28][C:29]([C:30]([N+:31]([C:32]([H:57])([H:58])[H:59])([C:33]([H:60])([H:61])[H:62])[C:34]([H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([O:35][C:36](=[O:37])[C:38]([C:39]([C:40]([C:41]([C:42]([C:43]([C:44]([C:45](=[C:46]([C:47]([C:48]([C:49]([C:50]([C:51]([C:52]([C:53]([C:54]([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])[H:92])([H:93])[H:94])([H:95])[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][O:55][H:141]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:55][H:141])([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][O:20][C:21]([C@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:56])[O:28][C:29]([C:30]([N+:31]([C:32]([H:57])([H:58])[H:59])([C:33]([H:60])([H:61])[H:62])[C:34]([H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])([O:35][C:36](=[O:37])[C:38]([C:39]([C:40]([C:41]([C:42]([C:43]([C:44]([C:45](=[C:46]([C:47]([C:48]([C:49]([C:50]([C:51]([C:52]([C:53]([C:54]([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])[H:92])([H:93])[H:94])([H:95])[H:96])([H:97])[H:98])([H:99])[H:100])([H:101])[H:102])([H:103])[H:104])[H:105])([H:106])[H:107]