| Properties | Image |
|---|
| MNX_ID | MNXM335051 |
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| reference | slm:000456270 |
| formula | C42H77O16P2 |
| global charge | -3 |
| mol weight | 900.01 |
| InChIKey | QXCLWAVWBZWCRQ-BAPWQFBKSA-K |
| InChI | InChI=1S/C42H80O16P2/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-35(43)54-32-34(56-36(44)31-29-27-25-23-20-16-14-12-10-8-6-4-2)33-55-60(52,53)58-42-39(47)37(45)38(46)41(40(42)48)57-59(49,50)51/h17-18,34,37-42,45-48H,3-16,19-33H2,1-2H3,(H,52,53)(H2,49,50,51)/p-3/b18-17-/t34-,37+,38+,39-,40-,41-,42+/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](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)OC(=O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C42H80O16P2/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-35(43)54-32-34(56-36(44)31-29-27-25-23-20-16-14-12-10-8-6-4-2)33-55-60(52,53)58-42-39(47)37(45)38(46)41(40(42)48)57-59(49,50)51/h17-18,34,37-42,45-48H,3-16,19-33H2,1-2H3,(H,52,53)(H2,49,50,51)/b18-17-/t34-,37+,38+,39-,40-,41-,42+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:18]\[CH2:19][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][C:35](=[O:43])[O:54][CH2:32][C@H:34]([CH2:33][O:55][P:60]([OH:52])(=[O:53])[O:58][C@H:42]1[C@H:39]([OH:47])[C@@H:37]([OH:45])[C@H:38]([OH:46])[C@@H:41]([O:57][P:59]([OH:49])([OH:50])=[O:51])[C@H:40]1[OH:48])[O:56][C:36]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:20][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:44] |
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