| Properties | Image |
|---|
| MNX_ID | MNXM335661 |
 |
| reference | slm:000437089 |
| formula | C43H73O16P2 |
| global charge | -3 |
| mol weight | 907.989 |
| InChIKey | PUVGUBLJSUIEJB-GEMCUSHGSA-K |
| InChI | InChI=1S/C43H76O16P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(45)57-35(33-55-36(44)31-29-27-25-23-21-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h5,7,10-13,16-17,35,38-43,46-49H,3-4,6,8-9,14-15,18-34H2,1-2H3,(H,53,54)(H2,50,51,52)/p-3/b7-5-,12-10-,13-11-,17-16-/t35-,38-,39-,40-,41-,42+,43-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C43H76O16P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(45)57-35(33-55-36(44)31-29-27-25-23-21-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h5,7,10-13,16-17,35,38-43,46-49H,3-4,6,8-9,14-15,18-34H2,1-2H3,(H,53,54)(H2,50,51,52)/b7-5-,12-10-,13-11-,17-16-/t35-,38-,39-,40-,41-,42+,43-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18][CH2:19][CH2:20][CH2:22][CH2:24][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][CH2:23][CH2:21][CH2:14]/[CH:12]=[CH: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:39]([OH:47])[C@H:42]([O:58][P:60]([OH:50])([OH:51])=[O:52])[C@H:41]1[OH:49] |
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