| Properties | Image |
|---|
| MNX_ID | MNXM344067 |
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| reference | slm:000475754 |
| formula | C36H59O13P2 |
| global charge | -3 |
| mol weight | 761.803 |
| InChIKey | JOIIMCGEXBHCCE-LJKWDDTNSA-K |
| InChI | InChI=1S/C36H62O13P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-36(39)49-34(31-45-35(38)27-4-2)32-48-51(43,44)47-30-33(37)29-46-50(40,41)42/h8-9,11-12,14-15,17-18,20-21,33-34,37H,3-7,10,13,16,19,22-32H2,1-2H3,(H,43,44)(H2,40,41,42)/p-3/b9-8-,12-11-,15-14-,18-17-,21-20-/t33-,34+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C36H62O13P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-36(39)49-34(31-45-35(38)27-4-2)32-48-51(43,44)47-30-33(37)29-46-50(40,41)42/h8-9,11-12,14-15,17-18,20-21,33-34,37H,3-7,10,13,16,19,22-32H2,1-2H3,(H,43,44)(H2,40,41,42)/b9-8-,12-11-,15-14-,18-17-,21-20-/t33-,34+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:28][C:36](=[O:39])[O:49][C@H:34]([CH2:31][O:45][C:35]([CH2:27][CH2:4][CH3:2])=[O:38])[CH2:32][O:48][P:51]([OH:43])(=[O:44])[O:47][CH2:30][C@H:33]([CH2:29][O:46][P:50]([OH:40])([OH:41])=[O:42])[OH:37] |
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