| Properties | Image |
|---|
| MNX_ID | MNXM342705 |
 |
| reference | slm:000462870 |
| formula | C35H53O16P2 |
| global charge | -3 |
| mol weight | 791.741 |
| InChIKey | XWXQPCCLKIGSRR-MIKBIDAWSA-K |
| InChI | InChI=1S/C35H56O16P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(37)49-28(25-47-27(2)36)26-48-53(45,46)51-35-32(40)30(38)34(31(39)33(35)41)50-52(42,43)44/h4-5,7-8,10-11,13-14,16-17,19-20,28,30-35,38-41H,3,6,9,12,15,18,21-26H2,1-2H3,(H,45,46)(H2,42,43,44)/p-3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-/t28-,30-,31+,32-,33-,34+,35+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(C)=O)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/C35H56O16P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(37)49-28(25-47-27(2)36)26-48-53(45,46)51-35-32(40)30(38)34(31(39)33(35)41)50-52(42,43)44/h4-5,7-8,10-11,13-14,16-17,19-20,28,30-35,38-41H,3,6,9,12,15,18,21-26H2,1-2H3,(H,45,46)(H2,42,43,44)/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-/t28-,30-,31+,32-,33-,34+,35+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:4]=[CH: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]/[CH:19]=[CH:20]\[CH2:21][CH2:22][CH2:23][CH2:24][C:29](=[O:37])[O:49][C@H:28]([CH2:25][O:47][C:27]([CH3:2])=[O:36])[CH2:26][O:48][P:53]([OH:45])(=[O:46])[O:51][C@H:35]1[C@H:32]([OH:40])[C@@H:30]([OH:38])[C@H:34]([O:50][P:52]([OH:42])([OH:43])=[O:44])[C@@H:31]([OH:39])[C@H:33]1[OH:41] |
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