| Properties | Image |
|---|
| MNX_ID | MNXM285798 |
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| reference | slm:000461450 |
| formula | C43H73O16P2 |
| global charge | -3 |
| mol weight | 907.989 |
| InChIKey | KXOGMSDKFQRIBW-CGSNKQMVSA-K |
| InChI | InChI=1S/C43H76O16P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)57-35(33-55-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)42(39(47)41(43)49)58-60(50,51)52/h11,13,17-18,21-24,35,38-43,46-49H,3-10,12,14-16,19-20,25-34H2,1-2H3,(H,53,54)(H2,50,51,52)/p-3/b13-11-,18-17-,23-21-,24-22-/t35-,38-,39+,40-,41-,42+,43+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCC/C=C\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/C43H76O16P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)57-35(33-55-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)42(39(47)41(43)49)58-60(50,51)52/h11,13,17-18,21-24,35,38-43,46-49H,3-10,12,14-16,19-20,25-34H2,1-2H3,(H,53,54)(H2,50,51,52)/b13-11-,18-17-,23-21-,24-22-/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]\[CH2:15]/[CH:17]=[CH:18]\[CH2:20]/[CH:22]=[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]/[CH:23]=[CH:21]\[CH2:19][CH2:16][CH2:14][CH2:12][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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