| Properties | Image |
|---|
| MNX_ID | MNXM136441 |
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| reference | hmdb:HMDB0049723 |
| formula | C56H100O6 |
| global charge | 0 |
| mol weight | 869.41 |
| InChIKey | JQLQWFHCAZDHBO-QLIVOQJHSA-N |
| InChI | InChI=1S/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25-27,29-30,32,37,40,53H,4-24,28,31,33-36,38-39,41-52H2,1-3H3/b27-25-,29-26-,32-30-,40-37-/t53-/m0/s1 |
| SMILES | CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C56H100O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25-27,29-30,32,37,40,53H,4-24,28,31,33-36,38-39,41-52H2,1-3H3/b27-25-,29-26-,32-30-,40-37-/t53-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:25]=[CH:27]\[CH2:28]/[CH:30]=[CH:32]\[CH2:35]/[CH:37]=[CH:40]\[CH2:43][CH2:46][CH2:49][C:55](=[O:58])[O:61][CH2:52][C@H:53]([CH2:51][O:60][C:54]([CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:34][CH2:31]/[CH:29]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:57])[O:62][C:56]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:33][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:59] |
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