| Properties | Image |
|---|
| MNX_ID | MNXM184686 |
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| reference | slm:000014440 |
| formula | C43H76O13P |
| global charge | -1 |
| mol weight | 832.042 |
| InChIKey | GWKSRGJSSSCJIQ-PKOXAIJPSA-M |
| InChI | InChI=1S/C43H77O13P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-25-27-29-31-36(44)53-33-35(55-37(45)32-30-28-26-23-12-10-8-6-4-2)34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50/h11,13,15-16,18-19,35,38-43,46-50H,3-10,12,14,17,20-34H2,1-2H3,(H,51,52)/p-1/b13-11-,16-15-,19-18-/t35-,38-,39-,40+,41-,42-,43-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C43H77O13P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-25-27-29-31-36(44)53-33-35(55-37(45)32-30-28-26-23-12-10-8-6-4-2)34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50/h11,13,15-16,18-19,35,38-43,46-50H,3-10,12,14,17,20-34H2,1-2H3,(H,51,52)/b13-11-,16-15-,19-18-/t35-,38-,39-,40+,41-,42-,43-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20][CH2:21][CH2:22][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][C:36](=[O:44])[O:53][CH2:33][C@H:35]([CH2:34][O:54][P:57]([OH:51])(=[O:52])[O:56][C@@H:43]1[C@H:41]([OH:49])[C@H:39]([OH:47])[C@@H:38]([OH:46])[C@H:40]([OH:48])[C@H:42]1[OH:50])[O:55][C:37]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:23][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:45] |
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