| Properties | Image |
|---|
| MNX_ID | MNXM139984 |
 |
| reference | hmdb:HMDB0051023 |
| formula | C61H100O6 |
| global charge | 0 |
| mol weight | 929.465 |
| InChIKey | VJICZDJBHWONKO-XUEWUMAZSA-N |
| InChI | InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,30,32-33,36-37,39,41,44-45,48,58H,4-15,17-18,20,22-23,29,31,34-35,38,40,42-43,46-47,49-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-,48-45-/t58-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,30,32-33,36-37,39,41,44-45,48,58H,4-15,17-18,20,22-23,29,31,34-35,38,40,42-43,46-47,49-57H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,44-41-,48-45-/t58-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:27]\[CH2:29]/[CH:30]=[CH:32]\[CH2:34]/[CH:37]=[CH:39]\[CH2:42]/[CH:45]=[CH:48]\[CH2:51][CH2:54][C:60](=[O:63])[O:66][CH2:57][C@H:58]([CH2:56][O:65][C:59]([CH2:53][CH2:50][CH2:47]/[CH:44]=[CH:41]\[CH2:38]/[CH:36]=[CH:33]\[CH2:31]/[CH:28]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:62])[O:67][C:61]([CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:35]/[CH:24]=[CH:21]\[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:64] |
|