| Properties | Image |
|---|
| MNX_ID | MNXM131597 |
 |
| reference | hmdb:HMDB0042433 |
| formula | C57H98O6 |
| global charge | 0 |
| mol weight | 879.405 |
| InChIKey | BKXUIIGVDGYNFG-VVCWLMKVSA-N |
| InChI | InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h24-27,30-33,38-39,41-42,54H,4-23,28-29,34-37,40,43-53H2,1-3H3/b26-24-,27-25-,32-30-,33-31-,41-38-,42-39-/t54-/m0/s1 |
| SMILES | CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H98O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h24-27,30-33,38-39,41-42,54H,4-23,28-29,34-37,40,43-53H2,1-3H3/b26-24-,27-25-,32-30-,33-31-,41-38-,42-39-/t54-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:24]=[CH:26]\[CH2:28]/[CH:30]=[CH:32]\[CH2:35]/[CH:38]=[CH:41]\[CH2:44][CH2:47][CH2:50][C:56](=[O:59])[O:62][CH2:53][C@H:54]([CH2:52][O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:58])[O:63][C:57]([CH2:51][CH2:48][CH2:45]/[CH:42]=[CH:39]\[CH2:36]/[CH:33]=[CH:31]\[CH2:29]/[CH:27]=[CH:25]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:60] |
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