| Properties | Image |
|---|
| MNX_ID | MNXM190630 |
 |
| reference | slm:000458361 |
| formula | C49H79O16P2 |
| global charge | -3 |
| mol weight | 986.103 |
| InChIKey | NJKSFBSNLYTMCP-PVIRQEEOSA-K |
| InChI | InChI=1S/C49H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)63-41(39-61-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)40-62-67(59,60)65-49-46(54)44(52)48(45(53)47(49)55)64-66(56,57)58/h5,7,11,13-14,16-17,19,21-22,26,28,32,34,41,44-49,52-55H,3-4,6,8-10,12,15,18,20,23-25,27,29-31,33,35-40H2,1-2H3,(H,59,60)(H2,56,57,58)/p-3/b7-5-,13-11-,16-14+,19-17-,22-21-,28-26-,34-32-/t41-,44-,45+,46-,47-,48+,49+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)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/C49H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)63-41(39-61-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)40-62-67(59,60)65-49-46(54)44(52)48(45(53)47(49)55)64-66(56,57)58/h5,7,11,13-14,16-17,19,21-22,26,28,32,34,41,44-49,52-55H,3-4,6,8-10,12,15,18,20,23-25,27,29-31,33,35-40H2,1-2H3,(H,59,60)(H2,56,57,58)/b7-5-,13-11-,16-14+,19-17-,22-21-,28-26-,34-32-/t41-,44-,45+,46-,47-,48+,49+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:24]/[CH:26]=[CH:28]\[CH2:30]/[CH:32]=[CH:34]\[CH2:36][CH2:38][C:43](=[O:51])[O:63][C@H:41]([CH2:39][O:61][C:42]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:18]/[CH:16]=[CH:14]/[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:50])[CH2:40][O:62][P:67]([OH:59])(=[O:60])[O:65][C@H:49]1[C@H:46]([OH:54])[C@@H:44]([OH:52])[C@H:48]([O:64][P:66]([OH:56])([OH:57])=[O:58])[C@@H:45]([OH:53])[C@H:47]1[OH:55] |
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