| Properties | Image |
|---|
| MNX_ID | MNXM133955 |
 |
| reference | hmdb:HMDB0044171 |
| formula | C55H98O6 |
| global charge | 0 |
| mol weight | 855.383 |
| InChIKey | WXQUIFZGYWDBHY-VORIAUPESA-N |
| InChI | InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h20,23,25-26,28,31,37,40,52H,4-19,21-22,24,27,29-30,32-36,38-39,41-51H2,1-3H3/b23-20-,26-25-,31-28-,40-37-/t52-/m1/s1 |
| SMILES | CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C55H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h20,23,25-26,28,31,37,40,52H,4-19,21-22,24,27,29-30,32-36,38-39,41-51H2,1-3H3/b23-20-,26-25-,31-28-,40-37-/t52-/m1/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:26]\[CH2:27]/[CH:28]=[CH:31]\[CH2:34]/[CH:37]=[CH:40]\[CH2:43][CH2:46][CH2:49][C:55](=[O:58])[O:61][C@H:52]([CH2:50][O:59][C:53]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:29]/[CH:23]=[CH:20]\[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:56])[CH2:51][O:60][C:54]([CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:57] |
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