| Properties | Image |
|---|
| MNX_ID | MNXM342804 |
 |
| reference | slm:000437283 |
| formula | C33H53O16P2 |
| global charge | -3 |
| mol weight | 767.719 |
| InChIKey | VCLUHXSQMRKFMA-NOFFOPJTSA-K |
| InChI | InChI=1S/C33H56O16P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(35)47-26(23-45-25(2)34)24-46-51(43,44)49-33-30(38)28(36)29(37)32(31(33)39)48-50(40,41)42/h7-8,10-11,13-14,16-17,26,28-33,36-39H,3-6,9,12,15,18-24H2,1-2H3,(H,43,44)(H2,40,41,42)/p-3/b8-7-,11-10-,14-13-,17-16-/t26-,28-,29-,30-,31-,32+,33-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(C)=O)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/C33H56O16P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(35)47-26(23-45-25(2)34)24-46-51(43,44)49-33-30(38)28(36)29(37)32(31(33)39)48-50(40,41)42/h7-8,10-11,13-14,16-17,26,28-33,36-39H,3-6,9,12,15,18-24H2,1-2H3,(H,43,44)(H2,40,41,42)/b8-7-,11-10-,14-13-,17-16-/t26-,28-,29-,30-,31-,32+,33-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][C:27](=[O:35])[O:47][C@H:26]([CH2:23][O:45][C:25]([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:29]([OH:37])[C@H:32]([O:48][P:50]([OH:40])([OH:41])=[O:42])[C@H:31]1[OH:39] |
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