| Properties | Image |
|---|
| MNX_ID | MNXM139911 |
 |
| reference | hmdb:HMDB0050878 |
| formula | C59H100O6 |
| global charge | 0 |
| mol weight | 905.443 |
| InChIKey | SPUQPIISZHRLIJ-GQIRDFOCSA-N |
| InChI | InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,29,31-32,34-35,38-39,42,56H,4-15,17-18,20-23,28,30,33,36-37,40-41,43-55H2,1-3H3/b19-16-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-/t56-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24-27,29,31-32,34-35,38-39,42,56H,4-15,17-18,20-23,28,30,33,36-37,40-41,43-55H2,1-3H3/b19-16-,26-24-,27-25-,31-29-,34-32-,38-35-,42-39-/t56-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:28]/[CH:29]=[CH:31]\[CH2:33]/[CH:35]=[CH:38]\[CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][C:58](=[O:61])[O:64][CH2:55][C@H:56]([CH2:54][O:63][C:57]([CH2:51][CH2:48][CH2:45]/[CH:42]=[CH:39]\[CH2:37]/[CH:34]=[CH:32]\[CH2:30]/[CH:27]=[CH:25]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:60])[O:65][C:59]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:36][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:62] |
|