| Properties | Image |
|---|
| MNX_ID | MNXM344186 |
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| reference | slm:000462966 |
| formula | C31H53O16P2 |
| global charge | -3 |
| mol weight | 743.697 |
| InChIKey | VXLWBMKPQLVQNH-JEXAQZDHSA-K |
| InChI | InChI=1S/C31H56O16P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25(33)45-23(21-43-24(32)19-4-2)22-44-49(41,42)47-31-28(36)26(34)30(27(35)29(31)37)46-48(38,39)40/h8-9,11-12,23,26-31,34-37H,3-7,10,13-22H2,1-2H3,(H,41,42)(H2,38,39,40)/p-3/b9-8-,12-11-/t23-,26-,27+,28-,29-,30+,31+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C31H56O16P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25(33)45-23(21-43-24(32)19-4-2)22-44-49(41,42)47-31-28(36)26(34)30(27(35)29(31)37)46-48(38,39)40/h8-9,11-12,23,26-31,34-37H,3-7,10,13-22H2,1-2H3,(H,41,42)(H2,38,39,40)/b9-8-,12-11-/t23-,26-,27+,28-,29-,30+,31+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:20][C:25](=[O:33])[O:45][C@H:23]([CH2:21][O:43][C:24]([CH2:19][CH2:4][CH3:2])=[O:32])[CH2:22][O:44][P:49]([OH:41])(=[O:42])[O:47][C@H:31]1[C@H:28]([OH:36])[C@@H:26]([OH:34])[C@H:30]([O:46][P:48]([OH:38])([OH:39])=[O:40])[C@@H:27]([OH:35])[C@H:29]1[OH:37] |
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