| Properties | Image |
|---|
| MNX_ID | MNXM342688 |
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| reference | slm:000450070 |
| formula | C31H48O19P3 |
| global charge | -5 |
| mol weight | 817.628 |
| InChIKey | QNWFGQINQANAFB-ABUKNZSNSA-I |
| InChI | InChI=1S/C31H53O19P3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(33)47-24(21-45-23(2)32)22-46-53(43,44)50-31-27(35)29(48-51(37,38)39)26(34)30(28(31)36)49-52(40,41)42/h7-8,10-11,13-14,16-17,24,26-31,34-36H,3-6,9,12,15,18-22H2,1-2H3,(H,43,44)(H2,37,38,39)(H2,40,41,42)/p-5/b8-7-,11-10-,14-13-,17-16-/t24-,26-,27-,28-,29-,30+,31-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=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](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C31H53O19P3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(33)47-24(21-45-23(2)32)22-46-53(43,44)50-31-27(35)29(48-51(37,38)39)26(34)30(28(31)36)49-52(40,41)42/h7-8,10-11,13-14,16-17,24,26-31,34-36H,3-6,9,12,15,18-22H2,1-2H3,(H,43,44)(H2,37,38,39)(H2,40,41,42)/b8-7-,11-10-,14-13-,17-16-/t24-,26-,27-,28-,29-,30+,31-/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][C:25](=[O:33])[O:47][C@H:24]([CH2:21][O:45][C:23]([CH3:2])=[O:32])[CH2:22][O:46][P:53]([OH:43])(=[O:44])[O:50][C@@H:31]1[C@H:27]([OH:35])[C@H:29]([O:48][P:51]([OH:37])([OH:38])=[O:39])[C@@H:26]([OH:34])[C@H:30]([O:49][P:52]([OH:40])([OH:41])=[O:42])[C@H:28]1[OH:36] |
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