| Properties | Image |
|---|
| MNX_ID | MNXM186130 |
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| reference | slm:000445619 |
| formula | C52H86O19P3 |
| global charge | -5 |
| mol weight | 1108.163 |
| InChIKey | KBCGRPFQYWZMEK-SVGDJSIWSA-I |
| InChI | InChI=1S/C52H91O19P3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30-34-37-40-46(54)68-44(41-66-45(53)39-36-33-31-28-29-32-35-38-43(2)3)42-67-74(64,65)71-52-48(56)50(69-72(58,59)60)47(55)51(49(52)57)70-73(61,62)63/h5-6,8-9,11-12,14-15,17-18,20-21,43-44,47-52,55-57H,4,7,10,13,16,19,22-42H2,1-3H3,(H,64,65)(H2,58,59,60)(H2,61,62,63)/p-5/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t44-,47-,48-,49-,50-,51+,52-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=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/C52H91O19P3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30-34-37-40-46(54)68-44(41-66-45(53)39-36-33-31-28-29-32-35-38-43(2)3)42-67-74(64,65)71-52-48(56)50(69-72(58,59)60)47(55)51(49(52)57)70-73(61,62)63/h5-6,8-9,11-12,14-15,17-18,20-21,43-44,47-52,55-57H,4,7,10,13,16,19,22-42H2,1-3H3,(H,64,65)(H2,58,59,60)(H2,61,62,63)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t44-,47-,48-,49-,50-,51+,52-/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]/[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][CH2:27][CH2:30][CH2:34][CH2:37][CH2:40][C:46](=[O:54])[O:68][C@H:44]([CH2:41][O:66][C:45]([CH2:39][CH2:36][CH2:33][CH2:31][CH2:28][CH2:29][CH2:32][CH2:35][CH2:38][CH:43]([CH3:2])[CH3:3])=[O:53])[CH2:42][O:67][P:74]([OH:64])(=[O:65])[O:71][C@@H:52]1[C@H:48]([OH:56])[C@H:50]([O:69][P:72]([OH:58])([OH:59])=[O:60])[C@@H:47]([OH:55])[C@H:51]([O:70][P:73]([OH:61])([OH:62])=[O:63])[C@H:49]1[OH:57] |
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