| Properties | Image |
|---|
| MNX_ID | MNXM335817 |
 |
| reference | slm:000475481 |
| formula | C50H83O13P2 |
| global charge | -3 |
| mol weight | 954.149 |
| InChIKey | MDPROUFDCJPETE-FLSQFCIISA-K |
| InChI | InChI=1S/C50H86O13P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-50(53)63-48(46-62-65(57,58)61-44-47(51)43-60-64(54,55)56)45-59-49(52)41-39-37-35-33-31-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,22-23,25-26,47-48,51H,3-4,6,8-9,14-15,18,21,24,27-46H2,1-2H3,(H,57,58)(H2,54,55,56)/p-3/b7-5-,12-10-,13-11-,17-16-,20-19-,23-22-,26-25-/t47-,48+/m0/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)CCCCCCC/C=C\CCCC)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C50H86O13P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-50(53)63-48(46-62-65(57,58)61-44-47(51)43-60-64(54,55)56)45-59-49(52)41-39-37-35-33-31-14-12-10-8-6-4-2/h5,7,10-13,16-17,19-20,22-23,25-26,47-48,51H,3-4,6,8-9,14-15,18,21,24,27-46H2,1-2H3,(H,57,58)(H2,54,55,56)/b7-5-,12-10-,13-11-,17-16-,20-19-,23-22-,26-25-/t47-,48+/m0/s1 |
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| 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][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][C:50](=[O:53])[O:63][C@H:48]([CH2:45][O:59][C:49]([CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:52])[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] |
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