| Properties | Image |
|---|
| MNX_ID | MNXM329842 |
 |
| reference | slm:000018674 |
| formula | C61H106O13P |
| global charge | -1 |
| mol weight | 1078.48 |
| InChIKey | CQBMLMUASCTLKT-OHWZHVDZSA-M |
| InChI | InChI=1S/C61H107O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-55(63)73-53(52-72-75(69,70)74-61-59(67)57(65)56(64)58(66)60(61)68)51-71-54(62)49-47-45-43-41-39-37-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,23-24,53,56-61,64-68H,3-4,6,8-10,12,15,19,22,25-52H2,1-2H3,(H,69,70)/p-1/b7-5-,13-11-,16-14-,18-17-,21-20-,24-23-/t53-,56-,57-,58+,59-,60-,61-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C61H107O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-55(63)73-53(52-72-75(69,70)74-61-59(67)57(65)56(64)58(66)60(61)68)51-71-54(62)49-47-45-43-41-39-37-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,23-24,53,56-61,64-68H,3-4,6,8-10,12,15,19,22,25-52H2,1-2H3,(H,69,70)/b7-5-,13-11-,16-14-,18-17-,21-20-,24-23-/t53-,56-,57-,58+,59-,60-,61-/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:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][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][CH2:37]/[CH:16]=[CH:14]\[CH2:12][CH2:10][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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