| Properties | Image |
|---|
| MNX_ID | MNXM113243 |
 |
| reference | lipidmapsM:LMGL03016687 |
| formula | C63H108O6 |
| global charge | 0 |
| mol weight | 961.551 |
| InChIKey | HKTUFRDXCMAFLR-PPFVLQEMSA-N |
| InChI | InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,30,32-33,35,38,41,47,50,60H,4-6,8-9,11-15,17-18,20-24,26-27,29,31,34,36-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,28-25-,33-32-,35-30-,41-38-,50-47-/t60-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-35-30-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,30,32-33,35,38,41,47,50,60H,4-6,8-9,11-15,17-18,20-24,26-27,29,31,34,36-37,39-40,42-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,28-25-,33-32-,35-30-,41-38-,50-47-/t60-/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:32]=[CH:33]\[CH2:36]/[CH:38]=[CH:41]\[CH2:44]/[CH:47]=[CH:50]\[CH2:53][CH2:56][C:62](=[O:65])[O:68][CH2:59][C@@H:60]([CH2:58][O:67][C:61]([CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:64])[O:69][C:63]([CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39]/[CH:35]=[CH:30]\[CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:66] |
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