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:22]([C@@:21]([O:20][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:116])([H:117])[H:118])([H:114])[H:115])([H:112])[H:113])([H:110])[H:111])([H:108])[H:109])([H:106])[H:107])([H:104])[H:105])([H:102])[H:103])[H:101])[H:100])([H:98])[H:99])([H:96])[H:97])([H:94])[H:95])([H:92])[H:93])([H:90])[H:91])([H:88])[H:89])([H:86])[H:87])=[O:19])([C:41]([O:42][P:43](=[O:44])([O:45][H:81])[O:46][H:82])([H:83])[H:84])[H:85])([H:79])[H:80].[H][O:47][H:119]>>[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]([O:47][H:119])([H:79])[H:80])([C:41]([O:42][P:43](=[O:44])([O:45][H:81])[O:46][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]
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-C894 - 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]-[#6@@:22].[H]-[#8:54]>>[#6:23](-[#6@:22])-[#8:54]
EVODEX.1-N1119 - 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](-[#8:21])(-[#6:42])-[H:104])(-[H:86])-[H:87].[H]-[#8:54]-[H:138]>>[#8:21]-[#6@:22](-[#6:23](-[#8:54]-[H:138])(-[H:86])-[H:87])(-[#6:42])-[H:104]
Source Full Reactions
EVODEX.1-R4783
[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]([O:23][C:24](=[O: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]([C:40]([H:48])([H:49])[H:50])([H:51])[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])([C:41]([O:42][P:43](=[O:44])([O:45][H:81])[O:46][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][O:47][H:119]>>[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]([O:47][H:119])([H:79])[H:80])([C:41]([O:42][P:43](=[O:44])([O:45][H:81])[O:46][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][O:23][C:24](=[O: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]([C:40]([H:48])([H:49])[H:50])([H:51])[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]