| Properties | Image |
|---|
| MNX_ID | MNXM320802 |
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| reference | slm:000455939 |
| formula | C29H47O16P2 |
| global charge | -3 |
| mol weight | 713.627 |
| InChIKey | LNSHJGJYGDYEIS-ABYQUIQFSA-K |
| InChI | InChI=1S/C29H50O16P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(31)41-19-22(43-21(2)30)20-42-47(39,40)45-29-26(34)24(32)25(33)28(27(29)35)44-46(36,37)38/h4-5,7-8,10-11,22,24-29,32-35H,3,6,9,12-20H2,1-2H3,(H,39,40)(H2,36,37,38)/p-3/b5-4-,8-7-,11-10-/t22-,24+,25+,26-,27-,28-,29+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/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(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C29H50O16P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(31)41-19-22(43-21(2)30)20-42-47(39,40)45-29-26(34)24(32)25(33)28(27(29)35)44-46(36,37)38/h4-5,7-8,10-11,22,24-29,32-35H,3,6,9,12-20H2,1-2H3,(H,39,40)(H2,36,37,38)/b5-4-,8-7-,11-10-/t22-,24+,25+,26-,27-,28-,29+/m1/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][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][C:23](=[O:31])[O:41][CH2:19][C@H:22]([CH2:20][O:42][P:47]([OH:39])(=[O:40])[O:45][C@H:29]1[C@H:26]([OH:34])[C@@H:24]([OH:32])[C@H:25]([OH:33])[C@@H:28]([O:44][P:46]([OH:36])([OH:37])=[O:38])[C@H:27]1[OH:35])[O:43][C:21]([CH3:2])=[O:30] |
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