| Properties | Image |
|---|
| MNX_ID | MNXM138234 |
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| reference | hmdb:HMDB0045511 |
| formula | C58H106O6 |
| global charge | 0 |
| mol weight | 899.48 |
| InChIKey | ASJDYPQIFWQJPP-DFBVFTRISA-N |
| InChI | InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,31,33,38,41,55H,4-24,26,28-30,32,34-37,39-40,42-54H2,1-3H3/b27-25-,33-31-,41-38-/t55-/m1/s1 |
| SMILES | CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C58H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,31,33,38,41,55H,4-24,26,28-30,32,34-37,39-40,42-54H2,1-3H3/b27-25-,33-31-,41-38-/t55-/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:27]\[CH2:29]/[CH:31]=[CH:33]\[CH2:36]/[CH:38]=[CH:41]\[CH2:44][CH2:47][CH2:50][C:56](=[O:59])[O:62][CH2:53][C@H:55]([CH2:54][O:63][C:57]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:37][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:60])[O:64][C:58]([CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:35][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:61] |
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