| Properties | Image |
|---|
| MNX_ID | MNXM180703 |
 |
| reference | slm:000470966 |
| formula | C47H79O13P2 |
| global charge | -3 |
| mol weight | 914.084 |
| InChIKey | XESCAUZMBUPQRJ-UAAOQUMSSA-K |
| InChI | InChI=1S/C47H82O13P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-32-34-36-38-46(49)56-42-45(43-59-62(54,55)58-41-44(48)40-57-61(51,52)53)60-47(50)39-37-35-33-30-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22-23,25-26,44-45,48H,3-4,6,8-10,12,14-15,18,21,24,27-43H2,1-2H3,(H,54,55)(H2,51,52,53)/p-3/b7-5-,13-11-,17-16-,20-19-,23-22-,26-25-/t44-,45+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C47H82O13P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-32-34-36-38-46(49)56-42-45(43-59-62(54,55)58-41-44(48)40-57-61(51,52)53)60-47(50)39-37-35-33-30-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22-23,25-26,44-45,48H,3-4,6,8-10,12,14-15,18,21,24,27-43H2,1-2H3,(H,54,55)(H2,51,52,53)/b7-5-,13-11-,17-16-,20-19-,23-22-,26-25-/t44-,45+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27][CH2:28][CH2:29][CH2:31][CH2:32][CH2:34][CH2:36][CH2:38][C:46](=[O:49])[O:56][CH2:42][C@H:45]([CH2:43][O:59][P:62]([OH:54])(=[O:55])[O:58][CH2:41][C@H:44]([CH2:40][O:57][P:61]([OH:51])([OH:52])=[O:53])[OH:48])[O:60][C:47]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:30][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:50] |
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