| Properties | Image |
|---|
| MNX_ID | MNXM175380 |
 |
| reference | slm:000018911 |
| formula | C81H138O13P |
| global charge | -1 |
| mol weight | 1350.956 |
| InChIKey | VUAZFKYUMRQZEP-QRZIUEDVSA-M |
| InChI | InChI=1S/C81H139O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-74(82)91-71-73(72-92-95(89,90)94-81-79(87)77(85)76(84)78(86)80(81)88)93-75(83)70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,73,76-81,84-88H,3-4,9-10,15-16,21-22,27-28,33-72H2,1-2H3,(H,89,90)/p-1/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t73-,76-,77-,78+,79-,80-,81-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC |
MNX internals
| InChI (mnx) | InChI=1/C81H139O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-74(82)91-71-73(72-92-95(89,90)94-81-79(87)77(85)76(84)78(86)80(81)88)93-75(83)70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,73,76-81,84-88H,3-4,9-10,15-16,21-22,27-28,33-72H2,1-2H3,(H,89,90)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t73-,76-,77-,78+,79-,80-,81-/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]\[CH2:27]/[CH:29]=[CH:31]\[CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][CH2:57][CH2:59][CH2:61][CH2:63][CH2:65][CH2:67][CH2:69][C:74](=[O:82])[O:91][CH2:71][C@H:73]([CH2:72][O:92][P:95]([OH:89])(=[O:90])[O:94][C@@H:81]1[C@H:79]([OH:87])[C@H:77]([OH:85])[C@@H:76]([OH:84])[C@H:78]([OH:86])[C@H:80]1[OH:88])[O:93][C:75]([CH2:70][CH2:68][CH2:66][CH2:64][CH2:62][CH2:60][CH2:58][CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34]/[CH:32]=[CH:30]\[CH2:28]/[CH:26]=[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:83] |
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