| Properties | Image |
|---|
| MNX_ID | MNXM342285 |
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| reference | slm:000462844 |
| formula | C41H67O16P2 |
| global charge | -3 |
| mol weight | 877.919 |
| InChIKey | IKQOYIAPJQUBPM-WBCSTERNSA-K |
| InChI | InChI=1S/C41H70O16P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-35(43)55-34(31-53-33(2)42)32-54-59(51,52)57-41-38(46)36(44)40(37(45)39(41)47)56-58(48,49)50/h7-8,10-11,13-14,16-17,19-20,34,36-41,44-47H,3-6,9,12,15,18,21-32H2,1-2H3,(H,51,52)(H2,48,49,50)/p-3/b8-7-,11-10-,14-13-,17-16-,20-19-/t34-,36-,37+,38-,39-,40+,41+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)O[C@H](COC(C)=O)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/C41H70O16P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-35(43)55-34(31-53-33(2)42)32-54-59(51,52)57-41-38(46)36(44)40(37(45)39(41)47)56-58(48,49)50/h7-8,10-11,13-14,16-17,19-20,34,36-41,44-47H,3-6,9,12,15,18,21-32H2,1-2H3,(H,51,52)(H2,48,49,50)/b8-7-,11-10-,14-13-,17-16-,20-19-/t34-,36-,37+,38-,39-,40+,41+/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]/[CH:19]=[CH:20]\[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][C:35](=[O:43])[O:55][C@H:34]([CH2:31][O:53][C:33]([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:40]([O:56][P:58]([OH:48])([OH:49])=[O:50])[C@@H:37]([OH:45])[C@H:39]1[OH:47] |
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