| Properties | Image |
|---|
| MNX_ID | MNXM192060 |
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| reference | slm:000471182 |
| formula | C38H69O13P2 |
| global charge | -3 |
| mol weight | 795.905 |
| InChIKey | IVVHOMMJVJOURQ-FYBHCIAKSA-K |
| InChI | InChI=1S/C38H72O13P2/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-37(40)47-33-36(34-50-53(45,46)49-32-35(39)31-48-52(42,43)44)51-38(41)30-28-26-24-22-19-14-12-10-8-6-4-2/h10,12-13,15,35-36,39H,3-9,11,14,16-34H2,1-2H3,(H,45,46)(H2,42,43,44)/p-3/b12-10-,15-13+/t35-,36+/m0/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C38H72O13P2/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-37(40)47-33-36(34-50-53(45,46)49-32-35(39)31-48-52(42,43)44)51-38(41)30-28-26-24-22-19-14-12-10-8-6-4-2/h10,12-13,15,35-36,39H,3-9,11,14,16-34H2,1-2H3,(H,45,46)(H2,42,43,44)/b12-10-,15-13+/t35-,36+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]/[CH2:16][CH2:17][CH2:18][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][C:37](=[O:40])[O:47][CH2:33][C@H:36]([CH2:34][O:50][P:53]([OH:45])(=[O:46])[O:49][CH2:32][C@H:35]([CH2:31][O:48][P:52]([OH:42])([OH:43])=[O:44])[OH:39])[O:51][C:38]([CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:19][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:41] |
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