| Properties | Image |
|---|
| MNX_ID | MNXM201069 |
 |
| reference | slm:000261403 |
| formula | C67H108O6 |
| global charge | 0 |
| mol weight | 1009.595 |
| InChIKey | ZMVIBBLVHTYHEL-XTRVZETASA-N |
| InChI | InChI=1S/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,32-33,37,39-40,43,45,48,64H,4-8,10-11,13-15,22-24,31,34-36,38,41-42,44,46-47,49-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,33-32-,39-37-,43-40-,48-45-/t64-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C67H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-39-42-45-48-51-54-57-60-66(69)72-63-64(73-67(70)61-58-55-52-49-46-43-40-36-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,32-33,37,39-40,43,45,48,64H,4-8,10-11,13-15,22-24,31,34-36,38,41-42,44,46-47,49-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,33-32-,39-37-,43-40-,48-45-/t64-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:31]/[CH:32]=[CH:33]\[CH2:34]/[CH:37]=[CH:39]\[CH2:42]/[CH:45]=[CH:48]\[CH2:51][CH2:54][CH2:57][CH2:60][C:66](=[O:69])[O:72][CH2:63][C@@H:64]([CH2:62][O:71][C:65]([CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:68])[O:73][C:67]([CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46]/[CH:43]=[CH:40]\[CH2:36]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:70] |
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