| Properties | Image |
|---|
| MNX_ID | MNXM337509 |
 |
| reference | slm:000437135 |
| formula | C41H69O16P2 |
| global charge | -3 |
| mol weight | 879.935 |
| InChIKey | KALGRENXUABQHU-CRFYXJJBSA-K |
| InChI | InChI=1S/C41H72O16P2/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(43)55-33(31-53-34(42)29-27-25-23-21-19-14-12-10-8-6-4-2)32-54-59(51,52)57-41-38(46)36(44)37(45)40(39(41)47)56-58(48,49)50/h5,7,10-13,16-17,33,36-41,44-47H,3-4,6,8-9,14-15,18-32H2,1-2H3,(H,51,52)(H2,48,49,50)/p-3/b7-5-,12-10-,13-11-,17-16-/t33-,36-,37-,38-,39-,40+,41-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)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/C41H72O16P2/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(43)55-33(31-53-34(42)29-27-25-23-21-19-14-12-10-8-6-4-2)32-54-59(51,52)57-41-38(46)36(44)37(45)40(39(41)47)56-58(48,49)50/h5,7,10-13,16-17,33,36-41,44-47H,3-4,6,8-9,14-15,18-32H2,1-2H3,(H,51,52)(H2,48,49,50)/b7-5-,12-10-,13-11-,17-16-/t33-,36-,37-,38-,39-,40+,41-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][C:35](=[O:43])[O:55][C@H:33]([CH2:31][O:53][C:34]([CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:42])[CH2:32][O:54][P:59]([OH:51])(=[O:52])[O:57][C@@H:41]1[C@H:38]([OH:46])[C@H:36]([OH:44])[C@@H:37]([OH:45])[C@H:40]([O:56][P:58]([OH:48])([OH:49])=[O:50])[C@H:39]1[OH:47] |
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