| Properties | Image |
|---|
| MNX_ID | MNXM192065 |
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| reference | slm:000451988 |
| formula | C41H73O16P2 |
| global charge | -3 |
| mol weight | 883.967 |
| InChIKey | AWDOOHIQXGSXOZ-SRSNQJNZSA-K |
| InChI | InChI=1S/C41H76O16P2/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(42)53-31-33(55-35(43)30-28-26-24-22-19-14-12-10-8-6-4-2)32-54-59(51,52)57-41-38(46)36(44)37(45)40(39(41)47)56-58(48,49)50/h10,12-13,15,33,36-41,44-47H,3-9,11,14,16-32H2,1-2H3,(H,51,52)(H2,48,49,50)/p-3/b12-10-,15-13+/t33-,36+,37+,38-,39-,40-,41+/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C41H76O16P2/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(42)53-31-33(55-35(43)30-28-26-24-22-19-14-12-10-8-6-4-2)32-54-59(51,52)57-41-38(46)36(44)37(45)40(39(41)47)56-58(48,49)50/h10,12-13,15,33,36-41,44-47H,3-9,11,14,16-32H2,1-2H3,(H,51,52)(H2,48,49,50)/b12-10-,15-13+/t33-,36+,37+,38-,39-,40-,41+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]/[CH2:16][CH2:17][CH2:18][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][C:34](=[O:42])[O:53][CH2:31][C@H:33]([CH2:32][O:54][P:59]([OH:51])(=[O:52])[O:57][C@H:41]1[C@H:38]([OH:46])[C@@H:36]([OH:44])[C@H:37]([OH:45])[C@@H:40]([O:56][P:58]([OH:48])([OH:49])=[O:50])[C@H:39]1[OH:47])[O:55][C:35]([CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:19][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:43] |
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