| Properties | Image |
|---|
| MNX_ID | MNXM345349 |
 |
| reference | slm:000463029 |
| formula | C43H71O16P2 |
| global charge | -3 |
| mol weight | 905.973 |
| InChIKey | RGPBEJVKQLUHBK-BXTGPVIRSA-K |
| InChI | InChI=1S/C43H74O16P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-37(45)57-35(33-55-36(44)31-29-27-25-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)42(39(47)41(43)49)58-60(50,51)52/h11-12,14-15,17-18,20-21,23-24,35,38-43,46-49H,3-10,13,16,19,22,25-34H2,1-2H3,(H,53,54)(H2,50,51,52)/p-3/b12-11-,15-14-,18-17-,21-20-,24-23-/t35-,38-,39+,40-,41-,42+,43+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)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/C43H74O16P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-37(45)57-35(33-55-36(44)31-29-27-25-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)42(39(47)41(43)49)58-60(50,51)52/h11-12,14-15,17-18,20-21,23-24,35,38-43,46-49H,3-10,13,16,19,22,25-34H2,1-2H3,(H,53,54)(H2,50,51,52)/b12-11-,15-14-,18-17-,21-20-,24-23-/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:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:26][CH2:28][CH2:30][CH2:32][C:37](=[O:45])[O:57][C@H:35]([CH2:33][O:55][C:36]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:44])[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:42]([O:58][P:60]([OH:50])([OH:51])=[O:52])[C@@H:39]([OH:47])[C@H:41]1[OH:49] |
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