| Properties | Image |
|---|
| MNX_ID | MNXM336407 |
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| reference | slm:000493719 |
| formula | C61H106O13P |
| global charge | -1 |
| mol weight | 1078.48 |
| InChIKey | YMCSQGJTRNPRMW-YZKXQLPVSA-M |
| InChI | InChI=1S/C61H107O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-55(63)73-53(51-71-54(62)49-47-45-43-41-39-14-12-10-8-6-4-2)52-72-75(69,70)74-61-59(67)57(65)56(64)58(66)60(61)68/h10-13,16-17,19-20,22-23,25-26,53,56-61,64-68H,3-9,14-15,18,21,24,27-52H2,1-2H3,(H,69,70)/p-1/b12-10-,13-11-,17-16-,20-19-,23-22-,26-25-/t53-,56-,57-,58+,59-,60-,61-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C61H107O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-55(63)73-53(51-71-54(62)49-47-45-43-41-39-14-12-10-8-6-4-2)52-72-75(69,70)74-61-59(67)57(65)56(64)58(66)60(61)68/h10-13,16-17,19-20,22-23,25-26,53,56-61,64-68H,3-9,14-15,18,21,24,27-52H2,1-2H3,(H,69,70)/b12-10-,13-11-,17-16-,20-19-,23-22-,26-25-/t53-,56-,57-,58+,59-,60-,61-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][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][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][C:55](=[O:63])[O:73][C@H:53]([CH2:51][O:71][C:54]([CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:62])[CH2:52][O:72][P:75]([OH:69])(=[O:70])[O:74][C@@H:61]1[C@H:59]([OH:67])[C@H:57]([OH:65])[C@@H:56]([OH:64])[C@H:58]([OH:66])[C@H:60]1[OH:68] |
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