| Properties | Image |
|---|
| MNX_ID | MNXM139933 |
 |
| reference | hmdb:HMDB0050997 |
| formula | C61H108O6 |
| global charge | 0 |
| mol weight | 937.529 |
| InChIKey | ZJTXXIDBNQKXGR-KJCYOZJZSA-N |
| InChI | InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,34,36,41,44,58H,4-14,16-17,19-23,28-33,35,37-40,42-43,45-57H2,1-3H3/b18-15-,26-24-,27-25-,36-34-,44-41-/t58-/m0/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C61H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-38-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,24-27,34,36,41,44,58H,4-14,16-17,19-23,28-33,35,37-40,42-43,45-57H2,1-3H3/b18-15-,26-24-,27-25-,36-34-,44-41-/t58-/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][CH2:29][CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:40][CH2:42][CH2:45][CH2:48][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]\[CH2:39]/[CH:36]=[CH:34]\[CH2:32]/[CH:27]=[CH:25]\[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][CH2:38][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:64] |
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