| Properties | Image |
MNX_ID | MNXM193358 |
 |
reference | slm:000021185 |
formula | C57H91O8P |
global charge | -2 |
mol weight | 935.321 |
InChIKey | JERIUDBASWNMKT-ZSDDGINVSA-L |
InChI | InChI=1S/C57H93O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-30-32-34-36-38-40-42-44-46-48-50-52-57(59)65-55(54-64-66(60,61)62)53-63-56(58)51-49-47-45-43-41-39-37-35-33-31-29-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,28,30-31,33,55H,3-4,9-10,15-16,21-22,27,29,32,34-54H2,1-2H3,(H2,60,61,62)/p-2/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-28-,33-31-/t55-/m1/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])[O-] |
MNX internals
InChI (mnx) | InChI=1/C57H93O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-30-32-34-36-38-40-42-44-46-48-50-52-57(59)65-55(54-64-66(60,61)62)53-63-56(58)51-49-47-45-43-41-39-37-35-33-31-29-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,28,30-31,33,55H,3-4,9-10,15-16,21-22,27,29,32,34-54H2,1-2H3,(H2,60,61,62)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-28-,33-31-/t55-/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:28]=[CH:30]\[CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][C:57](=[O:59])[O:65][C@H:55]([CH2:53][O:63][C:56]([CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35]/[CH:33]=[CH:31]\[CH2:29]/[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:58])[CH2:54][O:64][P:66]([OH:60])([OH:61])=[O:62] |
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