| Properties | Image |
|---|
| MNX_ID | MNXM342689 |
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| reference | slm:000456470 |
| formula | C31H49O16P2 |
| global charge | -3 |
| mol weight | 739.665 |
| InChIKey | JPNVZFFSDDCBQS-ZRZQDWNYSA-K |
| InChI | InChI=1S/C31H52O16P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(33)45-24(21-43-23(2)32)22-44-49(41,42)47-31-28(36)26(34)27(35)30(29(31)37)46-48(38,39)40/h7-8,10-11,13-14,16-17,24,26-31,34-37H,3-6,9,12,15,18-22H2,1-2H3,(H,41,42)(H2,38,39,40)/p-3/b8-7-,11-10-,14-13-,17-16-/t24-,26+,27+,28-,29-,30-,31+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(C)=O)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/C31H52O16P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(33)45-24(21-43-23(2)32)22-44-49(41,42)47-31-28(36)26(34)27(35)30(29(31)37)46-48(38,39)40/h7-8,10-11,13-14,16-17,24,26-31,34-37H,3-6,9,12,15,18-22H2,1-2H3,(H,41,42)(H2,38,39,40)/b8-7-,11-10-,14-13-,17-16-/t24-,26+,27+,28-,29-,30-,31+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][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][CH2:19][CH2:20][C:25](=[O:33])[O:45][C@H:24]([CH2:21][O:43][C:23]([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:27]([OH:35])[C@@H:30]([O:46][P:48]([OH:38])([OH:39])=[O:40])[C@H:29]1[OH:37] |
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