| Properties | Image |
|---|
| MNX_ID | MNXM351212 |
 |
| reference | slm:000019320 |
| formula | C43H72O13P |
| global charge | -1 |
| mol weight | 828.01 |
| InChIKey | JOAABWXEOXCVRP-VGIKXOAQSA-M |
| InChI | InChI=1S/C43H73O13P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-37(45)55-35(33-53-36(44)31-29-27-25-23-12-10-8-6-4-2)34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50/h5,7,11,13,15-16,18-19,21-22,35,38-43,46-50H,3-4,6,8-10,12,14,17,20,23-34H2,1-2H3,(H,51,52)/p-1/b7-5-,13-11-,16-15-,19-18-,22-21-/t35-,38-,39-,40+,41-,42-,43-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C43H73O13P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-37(45)55-35(33-53-36(44)31-29-27-25-23-12-10-8-6-4-2)34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50/h5,7,11,13,15-16,18-19,21-22,35,38-43,46-50H,3-4,6,8-10,12,14,17,20,23-34H2,1-2H3,(H,51,52)/b7-5-,13-11-,16-15-,19-18-,22-21-/t35-,38-,39-,40+,41-,42-,43-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][C:37](=[O:45])[O:55][C@H:35]([CH2:33][O:53][C:36]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:44])[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] |
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