| Properties | Image |
|---|
| MNX_ID | MNXM185923 |
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| reference | slm:000445615 |
| formula | C42H72O19P3 |
| global charge | -5 |
| mol weight | 973.941 |
| InChIKey | BLFWONNFJAXQNP-FEPZBYCJSA-I |
| InChI | InChI=1S/C42H77O19P3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-27-30-36(44)58-34(31-56-35(43)29-26-23-21-18-19-22-25-28-33(2)3)32-57-64(54,55)61-42-38(46)40(59-62(48,49)50)37(45)41(39(42)47)60-63(51,52)53/h5-6,8-9,11-12,33-34,37-42,45-47H,4,7,10,13-32H2,1-3H3,(H,54,55)(H2,48,49,50)(H2,51,52,53)/p-5/b6-5-,9-8-,12-11-/t34-,37-,38-,39-,40-,41+,42-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)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/C42H77O19P3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-27-30-36(44)58-34(31-56-35(43)29-26-23-21-18-19-22-25-28-33(2)3)32-57-64(54,55)61-42-38(46)40(59-62(48,49)50)37(45)41(39(42)47)60-63(51,52)53/h5-6,8-9,11-12,33-34,37-42,45-47H,4,7,10,13-32H2,1-3H3,(H,54,55)(H2,48,49,50)(H2,51,52,53)/b6-5-,9-8-,12-11-/t34-,37-,38-,39-,40-,41+,42-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:20][CH2:24][CH2:27][CH2:30][C:36](=[O:44])[O:58][C@H:34]([CH2:31][O:56][C:35]([CH2:29][CH2:26][CH2:23][CH2:21][CH2:18][CH2:19][CH2:22][CH2:25][CH2:28][CH:33]([CH3:2])[CH3:3])=[O:43])[CH2:32][O:57][P:64]([OH:54])(=[O:55])[O:61][C@@H:42]1[C@H:38]([OH:46])[C@H:40]([O:59][P:62]([OH:48])([OH:49])=[O:50])[C@@H:37]([OH:45])[C@H:41]([O:60][P:63]([OH:51])([OH:52])=[O:53])[C@H:39]1[OH:47] |
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