| Properties | Image |
|---|
| MNX_ID | MNXM361714 |
 |
| reference | slm:000019561 |
| formula | C46H80O13P |
| global charge | -1 |
| mol weight | 872.107 |
| InChIKey | NHCUHDJVBAQLLF-AOQMCODHSA-M |
| InChI | InChI=1S/C46H81O13P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-40(48)58-38(37-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53)36-56-39(47)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21,23,38,41-46,49-53H,3-4,6,8-10,12,14-16,18,20,22,24-37H2,1-2H3,(H,54,55)/p-1/b7-5-,13-11-,19-17-,23-21-/t38-,41-,42-,43+,44-,45-,46-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)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/C46H81O13P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-40(48)58-38(37-57-60(54,55)59-46-44(52)42(50)41(49)43(51)45(46)53)36-56-39(47)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21,23,38,41-46,49-53H,3-4,6,8-10,12,14-16,18,20,22,24-37H2,1-2H3,(H,54,55)/b7-5-,13-11-,19-17-,23-21-/t38-,41-,42-,43+,44-,45-,46-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[CH:21]=[CH:23]\[CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:40](=[O:48])[O:58][C@H:38]([CH2:36][O:56][C:39]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:47])[CH2:37][O:57][P:60]([OH:54])(=[O:55])[O:59][C@@H:46]1[C@H:44]([OH:52])[C@H:42]([OH:50])[C@@H:41]([OH:49])[C@H:43]([OH:51])[C@H:45]1[OH:53] |
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