| Properties | Image |
|---|
| MNX_ID | MNXM322348 |
 |
| reference | slm:000455973 |
| formula | C40H71O16P2 |
| global charge | -3 |
| mol weight | 869.94 |
| InChIKey | DQPQNKPJIDGWAR-DVSAOAIGSA-K |
| InChI | InChI=1S/C40H74O16P2/c1-4-5-6-7-8-9-10-11-12-15-18-21-24-27-33(41)52-29-32(54-34(42)28-25-22-19-16-13-14-17-20-23-26-31(2)3)30-53-58(50,51)56-40-37(45)35(43)36(44)39(38(40)46)55-57(47,48)49/h6-7,9-10,31-32,35-40,43-46H,4-5,8,11-30H2,1-3H3,(H,50,51)(H2,47,48,49)/p-3/b7-6-,10-9-/t32-,35+,36+,37-,38-,39-,40+/m1/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=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)CCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C40H74O16P2/c1-4-5-6-7-8-9-10-11-12-15-18-21-24-27-33(41)52-29-32(54-34(42)28-25-22-19-16-13-14-17-20-23-26-31(2)3)30-53-58(50,51)56-40-37(45)35(43)36(44)39(38(40)46)55-57(47,48)49/h6-7,9-10,31-32,35-40,43-46H,4-5,8,11-30H2,1-3H3,(H,50,51)(H2,47,48,49)/b7-6-,10-9-/t32-,35+,36+,37-,38-,39-,40+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5]/[CH:6]=[CH:7]\[CH2:8]/[CH:9]=[CH:10]\[CH2:11][CH2:12][CH2:15][CH2:18][CH2:21][CH2:24][CH2:27][C:33](=[O:41])[O:52][CH2:29][C@H:32]([CH2:30][O:53][P:58]([OH:50])(=[O:51])[O:56][C@H:40]1[C@H:37]([OH:45])[C@@H:35]([OH:43])[C@H:36]([OH:44])[C@@H:39]([O:55][P:57]([OH:47])([OH:48])=[O:49])[C@H:38]1[OH:46])[O:54][C:34]([CH2:28][CH2:25][CH2:22][CH2:19][CH2:16][CH2:13][CH2:14][CH2:17][CH2:20][CH2:23][CH2:26][CH:31]([CH3:2])[CH3:3])=[O:42] |
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