| Properties | Image |
|---|
| MNX_ID | MNXM182693 |
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| reference | slm:000426278 |
| formula | C61H102O19P3 |
| global charge | -5 |
| mol weight | 1232.39 |
| InChIKey | CCIMPEHYISUFPI-PJLILINLSA-I |
| InChI | InChI=1S/C61H107O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-46-48-50-55(63)77-53(51-75-54(62)49-47-45-43-41-39-37-35-33-31-22-20-18-16-14-12-10-8-6-4-2)52-76-83(73,74)80-59-56(64)57(65)60(78-81(67,68)69)61(58(59)66)79-82(70,71)72/h11-14,17-20,23-24,26-27,31,33,53,56-61,64-66H,3-10,15-16,21-22,25,28-30,32,34-52H2,1-2H3,(H,73,74)(H2,67,68,69)(H2,70,71,72)/p-5/b13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,33-31-/t53-,56-,57-,58+,59+,60+,61+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C61H107O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-46-48-50-55(63)77-53(51-75-54(62)49-47-45-43-41-39-37-35-33-31-22-20-18-16-14-12-10-8-6-4-2)52-76-83(73,74)80-59-56(64)57(65)60(78-81(67,68)69)61(58(59)66)79-82(70,71)72/h11-14,17-20,23-24,26-27,31,33,53,56-61,64-66H,3-10,15-16,21-22,25,28-30,32,34-52H2,1-2H3,(H,73,74)(H2,67,68,69)(H2,70,71,72)/b13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,33-31-/t53-,56-,57-,58+,59+,60+,61+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28][CH2:29][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][C:55](=[O:63])[O:77][C@H:53]([CH2:51][O:75][C:54]([CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35]/[CH:33]=[CH:31]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:62])[CH2:52][O:76][P:83]([OH:73])(=[O:74])[O:80][C@H:59]1[C@H:56]([OH:64])[C@@H:57]([OH:65])[C@H:60]([O:78][P:81]([OH:67])([OH:68])=[O:69])[C@@H:61]([O:79][P:82]([OH:70])([OH:71])=[O:72])[C@H:58]1[OH:66] |
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