| Properties | Image |
|---|
| MNX_ID | MNXM342516 |
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| reference | slm:000475655 |
| formula | C44H73O13P2 |
| global charge | -3 |
| mol weight | 872.003 |
| InChIKey | FEVWGEICSGDCPU-PNJPZHLDSA-K |
| InChI | InChI=1S/C44H76O13P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-44(47)57-43(39-53-41(2)45)40-56-59(51,52)55-38-42(46)37-54-58(48,49)50/h4-5,7-8,10-11,13-14,16-17,19-20,42-43,46H,3,6,9,12,15,18,21-40H2,1-2H3,(H,51,52)(H2,48,49,50)/p-3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-/t42-,43+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(C)=O)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C44H76O13P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-44(47)57-43(39-53-41(2)45)40-56-59(51,52)55-38-42(46)37-54-58(48,49)50/h4-5,7-8,10-11,13-14,16-17,19-20,42-43,46H,3,6,9,12,15,18,21-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-/t42-,43+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:4]=[CH:5]\[CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][C:44](=[O:47])[O:57][C@H:43]([CH2:39][O:53][C:41]([CH3:2])=[O:45])[CH2:40][O:56][P:59]([OH:51])(=[O:52])[O:55][CH2:38][C@H:42]([CH2:37][O:54][P:58]([OH:48])([OH:49])=[O:50])[OH:46] |
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