| Properties | Image |
|---|
| MNX_ID | MNXM343458 |
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| reference | slm:000462918 |
| formula | C33H55O16P2 |
| global charge | -3 |
| mol weight | 769.735 |
| InChIKey | CLRPDZQNDRNWCK-JDJWQDJYSA-K |
| InChI | InChI=1S/C33H58O16P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-27(35)47-25(23-45-26(34)21-4-2)24-46-51(43,44)49-33-30(38)28(36)32(29(37)31(33)39)48-50(40,41)42/h5-6,8-9,11-12,25,28-33,36-39H,3-4,7,10,13-24H2,1-2H3,(H,43,44)(H2,40,41,42)/p-3/b6-5-,9-8-,12-11-/t25-,28-,29+,30-,31-,32+,33+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCC)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/C33H58O16P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-27(35)47-25(23-45-26(34)21-4-2)24-46-51(43,44)49-33-30(38)28(36)32(29(37)31(33)39)48-50(40,41)42/h5-6,8-9,11-12,25,28-33,36-39H,3-4,7,10,13-24H2,1-2H3,(H,43,44)(H2,40,41,42)/b6-5-,9-8-,12-11-/t25-,28-,29+,30-,31-,32+,33+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:22][C:27](=[O:35])[O:47][C@H:25]([CH2:23][O:45][C:26]([CH2:21][CH2:4][CH3:2])=[O:34])[CH2:24][O:46][P:51]([OH:43])(=[O:44])[O:49][C@H:33]1[C@H:30]([OH:38])[C@@H:28]([OH:36])[C@H:32]([O:48][P:50]([OH:40])([OH:41])=[O:42])[C@@H:29]([OH:37])[C@H:31]1[OH:39] |
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