| Properties | Image |
|---|
| MNX_ID | MNXM139972 |
 |
| reference | hmdb:HMDB0051017 |
| formula | C57H96O6 |
| global charge | 0 |
| mol weight | 877.389 |
| InChIKey | GATLPEIJXCJQBW-BXOYFQJWSA-N |
| InChI | InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,29-30,33-34,37-38,41,54H,4-16,18-19,22-23,28,31-32,35-36,39-40,42-53H2,1-3H3/b20-17-,24-21-,27-25-,29-26-,33-30-,37-34-,41-38-/t54-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=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/C57H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,29-30,33-34,37-38,41,54H,4-16,18-19,22-23,28,31-32,35-36,39-40,42-53H2,1-3H3/b20-17-,24-21-,27-25-,29-26-,33-30-,37-34-,41-38-/t54-/m1/s1 |
 |
| 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:33]\[CH2:35]/[CH:38]=[CH:41]\[CH2:44][CH2:47][CH2:50][C:56](=[O:59])[O:62][CH2:53][C@@H:54]([CH2:52][O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40]/[CH:37]=[CH:34]\[CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:58])[O:63][C:57]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:31]/[CH:24]=[CH:21]\[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:60] |
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