| Properties | Image |
|---|
| MNX_ID | MNXM180568 |
 |
| reference | slm:000451762 |
| formula | C43H69O16P2 |
| global charge | -3 |
| mol weight | 903.957 |
| InChIKey | MBKSXLRGIJSUSF-NQEDXKEGSA-K |
| InChI | InChI=1S/C43H72O16P2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-31-36(44)55-33-35(57-37(45)32-29-6-4-2)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h5,7,9-10,12-13,15-16,18-19,21-22,35,38-43,46-49H,3-4,6,8,11,14,17,20,23-34H2,1-2H3,(H,53,54)(H2,50,51,52)/p-3/b7-5-,10-9-,13-12-,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\C/C=C\CCCCCCCCC(=O)OC[C@H](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)OC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C43H72O16P2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-31-36(44)55-33-35(57-37(45)32-29-6-4-2)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h5,7,9-10,12-13,15-16,18-19,21-22,35,38-43,46-49H,3-4,6,8,11,14,17,20,23-34H2,1-2H3,(H,53,54)(H2,50,51,52)/b7-5-,10-9-,13-12-,16-15-,19-18-,22-21-/t35-,38+,39+,40-,41-,42-,43+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:8]/[CH:9]=[CH:10]\[CH2:11]/[CH:12]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][CH2:31][C:36](=[O:44])[O:55][CH2:33][C@H:35]([CH2:34][O:56][P:61]([OH:53])(=[O:54])[O:59][C@H:43]1[C@H:40]([OH:48])[C@@H:38]([OH:46])[C@H:39]([OH:47])[C@@H:42]([O:58][P:60]([OH:50])([OH:51])=[O:52])[C@H:41]1[OH:49])[O:57][C:37]([CH2:32][CH2:29][CH2:6][CH2:4][CH3:2])=[O:45] |
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