| Properties | Image |
|---|
| MNX_ID | MNXM180315 |
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| reference | slm:000445343 |
| formula | C61H94O19P3 |
| global charge | -5 |
| mol weight | 1224.326 |
| InChIKey | HSOWDORCQVCNFG-PLSLRKPWSA-I |
| InChI | InChI=1S/C61H99O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-30-31-33-35-37-39-41-43-45-47-49-54(62)75-51-53(52-76-83(73,74)80-61-57(65)59(78-81(67,68)69)56(64)60(58(61)66)79-82(70,71)72)77-55(63)50-48-46-44-42-40-38-36-34-32-29-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-25,27-29,31,33-34,36,53,56-61,64-66H,3-4,9-10,15-16,21-22,26,30,32,35,37-52H2,1-2H3,(H,73,74)(H2,67,68,69)(H2,70,71,72)/p-5/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,28-27-,29-24-,33-31-,36-34-/t53-,56-,57-,58-,59-,60+,61-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC |
MNX internals
| InChI (mnx) | InChI=1/C61H99O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-30-31-33-35-37-39-41-43-45-47-49-54(62)75-51-53(52-76-83(73,74)80-61-57(65)59(78-81(67,68)69)56(64)60(58(61)66)79-82(70,71)72)77-55(63)50-48-46-44-42-40-38-36-34-32-29-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-25,27-29,31,33-34,36,53,56-61,64-66H,3-4,9-10,15-16,21-22,26,30,32,35,37-52H2,1-2H3,(H,73,74)(H2,67,68,69)(H2,70,71,72)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,28-27-,29-24-,33-31-,36-34-/t53-,56-,57-,58-,59-,60+,61-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:30]/[CH:31]=[CH:33]\[CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][C:54](=[O:62])[O:75][CH2:51][C@H:53]([CH2:52][O:76][P:83]([OH:73])(=[O:74])[O:80][C@@H:61]1[C@H:57]([OH:65])[C@H:59]([O:78][P:81]([OH:67])([OH:68])=[O:69])[C@@H:56]([OH:64])[C@H:60]([O:79][P:82]([OH:70])([OH:71])=[O:72])[C@H:58]1[OH:66])[O:77][C:55]([CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38]/[CH:36]=[CH:34]\[CH2:32]/[CH:29]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:63] |
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