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[C:23]([C:22]([O:21][C:20]([C:19]([C:18]([C:17]([C:16](=[C:15]([C:14]([C:13](=[C:12]([C:11]([C:10](=[C:9]([C:8]([C:7](=[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:125])([H:126])[H:127])([H:123])[H:124])([H:121])[H:122])([H:119])[H:120])([H:117])[H:118])[H:116])[H:115])([H:113])[H:114])[H:112])[H:111])([H:109])[H:110])[H:108])[H:107])([H:105])[H:106])[H:104])[H:103])([H:101])[H:102])([H:99])[H:100])([H:97])[H:98])([H:95])[H:96])([C:42]([O:43][P:44](=[O:45])([O:46][H:85])[O:47][C:48]([C:49]([N:50]([H:86])[H:87])([H:88])[H:89])([H:90])[H:91])([H:92])[H:93])[H:94])([H:83])[H:84].[H][O:51][H:128]>>[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]([C:19]([C:20]([O:21][C:22]([C:23]([O:51][H:128])([H:83])[H:84])([C:42]([O:43][P:44](=[O:45])([O:46][H:85])[O:47][C:48]([C:49]([N:50]([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]
Derived Operators
EVODEX.1-F418 - Elemental Balance
| O | -2 |
| C | -16 |
| H | -32 |
EVODEX.1-M406 - Mass Difference
-256.24036
EVODEX.1-E1227 - Reaction Operator E
[#6:23]-[#6:24](-[#8]-[#6](=[#8])-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[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:75])-[H:76].[#8:43](-[H:124])-[H]>>[#6:23]-[#6:24](-[#8:43]-[H:124])(-[H:75])-[H:76]
EVODEX.1-C1365 - 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]-[#6:23].[H]-[#8:51]>>[#6:23]-[#8:51]
EVODEX.1-N1728 - 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]-[#6:23](-[#6:22])(-[H:83])-[H:84].[H]-[#8:51]-[H:128]>>[#6:22]-[#6:23](-[#8:51]-[H:128])(-[H:83])-[H:84]
Source Full Reactions
EVODEX.1-R4886
[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]([C:19]([C:20]([O:21][C:22]([C:23]([O:24][C:25](=[O: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]([C:40]([C:41]([H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])([H:67])[H:68])([H:69])[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])([C:42]([O:43][P:44](=[O:45])([O:46][H:85])[O:47][C:48]([C:49]([N:50]([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][O:51][H:128]>>[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]([C:19]([C:20]([O:21][C:22]([C:23]([O:51][H:128])([H:83])[H:84])([C:42]([O:43][P:44](=[O:45])([O:46][H:85])[O:47][C:48]([C:49]([N:50]([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][O:24][C:25](=[O: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]([C:40]([C:41]([H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([H:65])[H:66])([H:67])[H:68])([H:69])[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]