| Properties | Image |
|---|
| MNX_ID | MNXM336700 |
 |
| reference | slm:000200269 |
| formula | C61H94O6 |
| global charge | 0 |
| mol weight | 923.417 |
| InChIKey | QHHWRYJWXOYSSC-CPFARNPRSA-N |
| InChI | InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,29-30,33-36,40,42-43,45,58H,4-6,9,12-14,21-23,28,31-32,37-39,41,44,46-57H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,30-29-,35-33-,36-34-,43-40-,45-42-/t58-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\CCCC |
MNX internals
| InChI (mnx) | InChI=1/C61H94O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-32-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,29-30,33-36,40,42-43,45,58H,4-6,9,12-14,21-23,28,31-32,37-39,41,44,46-57H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,30-29-,35-33-,36-34-,43-40-,45-42-/t58-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31]/[CH:33]=[CH:35]\[CH2:37]/[CH:40]=[CH:43]\[CH2:46][CH2:49][CH2:52][CH2:55][C:61](=[O:64])[O:67][C@H:58]([CH2:56][O:65][C:59]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:62])[CH2:57][O:66][C:60]([CH2:54][CH2:51][CH2:48]/[CH:45]=[CH:42]\[CH2:39]/[CH:36]=[CH:34]\[CH2:32]/[CH:27]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:63] |
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