| Properties | Image |
|---|
| MNX_ID | MNXM183065 |
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| reference | slm:000471079 |
| formula | C50H79O13P2 |
| global charge | -3 |
| mol weight | 950.117 |
| InChIKey | RMCFPKYUMGXIJA-WXNJYOKJSA-K |
| InChI | InChI=1S/C50H82O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-49(52)59-45-48(46-62-65(57,58)61-44-47(51)43-60-64(54,55)56)63-50(53)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,30,32,36,38,47-48,51H,3-5,7,9-10,15-16,21-22,27-29,31,33-35,37,39-46H2,1-2H3,(H,57,58)(H2,54,55,56)/p-3/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,32-30-,38-36-/t47-,48+/m0/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)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C50H82O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-49(52)59-45-48(46-62-65(57,58)61-44-47(51)43-60-64(54,55)56)63-50(53)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,30,32,36,38,47-48,51H,3-5,7,9-10,15-16,21-22,27-29,31,33-35,37,39-46H2,1-2H3,(H,57,58)(H2,54,55,56)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,32-30-,38-36-/t47-,48+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:49](=[O:52])[O:59][CH2:45][C@H:48]([CH2:46][O:62][P:65]([OH:57])(=[O:58])[O:61][CH2:44][C@H:47]([CH2:43][O:60][P:64]([OH:54])([OH:55])=[O:56])[OH:51])[O:63][C:50]([CH2:42][CH2:40]/[CH:38]=[CH:36]\[CH2:34]/[CH:32]=[CH:30]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:53] |
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