| Properties | Image |
|---|
| MNX_ID | MNXM345487 |
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| reference | slm:000456640 |
| formula | C39H67O16P2 |
| global charge | -3 |
| mol weight | 853.897 |
| InChIKey | FLXRFNLIJPCWSZ-AFYOIXIPSA-K |
| InChI | InChI=1S/C39H70O16P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-33(41)53-31(29-51-32(40)27-25-23-21-10-8-6-4-2)30-52-57(49,50)55-39-36(44)34(42)35(43)38(37(39)45)54-56(46,47)48/h11-12,14-15,17-18,31,34-39,42-45H,3-10,13,16,19-30H2,1-2H3,(H,49,50)(H2,46,47,48)/p-3/b12-11-,15-14-,18-17-/t31-,34+,35+,36-,37-,38-,39+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)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/C39H70O16P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-33(41)53-31(29-51-32(40)27-25-23-21-10-8-6-4-2)30-52-57(49,50)55-39-36(44)34(42)35(43)38(37(39)45)54-56(46,47)48/h11-12,14-15,17-18,31,34-39,42-45H,3-10,13,16,19-30H2,1-2H3,(H,49,50)(H2,46,47,48)/b12-11-,15-14-,18-17-/t31-,34+,35+,36-,37-,38-,39+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][C:33](=[O:41])[O:53][C@H:31]([CH2:29][O:51][C:32]([CH2:27][CH2:25][CH2:23][CH2:21][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:40])[CH2:30][O:52][P:57]([OH:49])(=[O:50])[O:55][C@H:39]1[C@H:36]([OH:44])[C@@H:34]([OH:42])[C@H:35]([OH:43])[C@@H:38]([O:54][P:56]([OH:46])([OH:47])=[O:48])[C@H:37]1[OH:45] |
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