| Properties | Image |
|---|
| MNX_ID | MNXM190504 |
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| reference | slm:000497671 |
| formula | C62H109O13P2 |
| global charge | -3 |
| mol weight | 1124.489 |
| InChIKey | SPESCSOXLOVZMQ-JMLKBYEGSA-K |
| InChI | InChI=1S/C62H112O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-62(65)75-60(58-74-77(69,70)73-56-59(63)55-72-76(66,67)68)57-71-61(64)53-51-49-47-45-43-41-39-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,24-25,27-28,59-60,63H,3-10,12,15,18,20,23,26,29-58H2,1-2H3,(H,69,70)(H2,66,67,68)/p-3/b13-11-,16-14+,19-17-,22-21-,25-24-,28-27-/t59-,60+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-] |
MNX internals
| InChI (mnx) | InChI=1/C62H112O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-62(65)75-60(58-74-77(69,70)73-56-59(63)55-72-76(66,67)68)57-71-61(64)53-51-49-47-45-43-41-39-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,21-22,24-25,27-28,59-60,63H,3-10,12,15,18,20,23,26,29-58H2,1-2H3,(H,69,70)(H2,66,67,68)/b13-11-,16-14+,19-17-,22-21-,25-24-,28-27-/t59-,60+/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]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH: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][CH2:52][CH2:54][C:62](=[O:65])[O:75][C@H:60]([CH2:57][O:71][C:61]([CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:18]/[CH:16]=[CH:14]/[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:64])[CH2:58][O:74][P:77]([OH:69])(=[O:70])[O:73][CH2:56][C@H:59]([CH2:55][O:72][P:76]([OH:66])([OH:67])=[O:68])[OH:63] |
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