| Properties | Image |
|---|
| MNX_ID | MNXM133154 |
 |
| reference | hmdb:HMDB0043318 |
| formula | C58H104O6 |
| global charge | 0 |
| mol weight | 897.464 |
| InChIKey | QNFJULRDTQNJGZ-LSMKTWFLSA-N |
| InChI | InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,32,34,40,43,55H,4-24,29-31,33,35-39,41-42,44-54H2,1-3H3/b27-25-,28-26-,34-32-,43-40-/t55-/m0/s1 |
| SMILES | CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C58H104O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,32,34,40,43,55H,4-24,29-31,33,35-39,41-42,44-54H2,1-3H3/b27-25-,28-26-,34-32-,43-40-/t55-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:25]=[CH:27]\[CH2:29][CH2:31][CH2:33][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][C:57](=[O:60])[O:63][CH2:54][C@H:55]([CH2:53][O:62][C:56]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:59])[O:64][C:58]([CH2:52][CH2:49][CH2:46]/[CH:43]=[CH:40]\[CH2:37]/[CH:34]=[CH:32]\[CH2:30]/[CH:28]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:61] |
|