| Properties | Image |
|---|
| MNX_ID | MNXM113356 |
 |
| reference | lipidmapsM:LMGL03016776 |
| formula | C66H116O6 |
| global charge | 0 |
| mol weight | 1005.648 |
| InChIKey | XDKHFRQGOWCDEV-NSZTZWPISA-N |
| InChI | InChI=1S/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,30,33,35,37,41,44,63H,4-6,8-9,11-15,17-18,20-24,26-27,29,31-32,34,36,38-40,42-43,45-62H2,1-3H3/b10-7-,19-16-,28-25-,35-33-,37-30-,44-41-/t63-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C66H116O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-56-59-65(68)71-62-63(61-70-64(67)58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)72-66(69)60-57-54-51-48-45-42-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,30,33,35,37,41,44,63H,4-6,8-9,11-15,17-18,20-24,26-27,29,31-32,34,36,38-40,42-43,45-62H2,1-3H3/b10-7-,19-16-,28-25-,35-33-,37-30-,44-41-/t63-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:31]/[CH:33]=[CH:35]\[CH2:38]/[CH:41]=[CH:44]\[CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][C:65](=[O:68])[O:71][CH2:62][C@@H:63]([CH2:61][O:70][C:64]([CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40]/[CH:37]=[CH:30]\[CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:67])[O:72][C:66]([CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:34][CH2:32][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:69] |
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