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:20][C@@:21]1([H:41])[C:22]([H:42])([H:43])[C:23]([H:44])([H:45])[C@@:24]2([H:46])[C@:25]3([H:47])[C:26]([H:48])([H:49])[C:27]([H:50])([H:51])[C:28]4:[C:29]([H:52]):[C:30]([O:31][H:53]):[C:32]([H:54]):[C:33]([H:55]):[C:34]:4[C@@:35]3([H:56])[C:36]([H:57])([H:58])[C:37]([H:59])([H:60])[C@:38]12[C:39]([H:61])([H:62])[H:63]>>[H][O:20][C@@:21]1([H:41])[C:22]([H:42])([H:43])[C:23]([H:44])([H:45])[C@@:24]2([H:46])[C@:25]3([H:47])[C:26]([H:48])([H:49])[C:27]([H:50])([H:51])[C:28]4:[C:29]([H:52]):[C:30]([O:31][H:53]):[C:32]([H:54]):[C:33]([H:55]):[C:34]:4[C@@:35]3([H:56])[C:36]([H:57])([H:58])[C:37]([H:59])([H:60])[C@:38]12[C:39]([H:61])([H:62])[H:63]
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-R4976
[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]1([H:41])[C:22]([H:42])([H:43])[C:23]([H:44])([H:45])[C@@:24]2([H:46])[C@:25]3([H:47])[C:26]([H:48])([H:49])[C:27]([H:50])([H:51])[C:28]4:[C:29]([H:52]):[C:30]([O:31][H:53]):[C:32]([H:54]):[C:33]([H:55]):[C:34]:4[C@@:35]3([H:56])[C:36]([H:57])([H:58])[C:37]([H:59])([H:60])[C@:38]12[C:39]([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])[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][O:40][H:97]>>[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:40][H:97])([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])[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][O:20][C@@:21]1([H:41])[C:22]([H:42])([H:43])[C:23]([H:44])([H:45])[C@@:24]2([H:46])[C@:25]3([H:47])[C:26]([H:48])([H:49])[C:27]([H:50])([H:51])[C:28]4:[C:29]([H:52]):[C:30]([O:31][H:53]):[C:32]([H:54]):[C:33]([H:55]):[C:34]:4[C@@:35]3([H:56])[C:36]([H:57])([H:58])[C:37]([H:59])([H:60])[C@:38]12[C:39]([H:61])([H:62])[H:63]