| Properties | Image |
|---|
| MNX_ID | MNXM219219 |
 |
| reference | slm:000285204 |
| formula | C71H112O6 |
| global charge | 0 |
| mol weight | 1061.671 |
| InChIKey | HXKLDKBRCGMWIO-AHZOVJBJSA-N |
| InChI | InChI=1S/C71H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34-35,37,40-41,43,47,49-50,52,56,59,68H,4-6,8-9,11-15,22-24,31-33,36,38-39,42,44-46,48,51,53-55,57-58,60-67H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-34-,41-37-,43-40-,50-47-,52-49-,59-56-/t68-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C71H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,34-35,37,40-41,43,47,49-50,52,56,59,68H,4-6,8-9,11-15,22-24,31-33,36,38-39,42,44-46,48,51,53-55,57-58,60-67H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,35-34-,41-37-,43-40-,50-47-,52-49-,59-56-/t68-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:31]/[CH:34]=[CH:35]\[CH2:38]/[CH:40]=[CH:43]\[CH2:46]/[CH:49]=[CH:52]\[CH2:55][CH2:58][CH2:61][CH2:64][C:70](=[O:73])[O:76][CH2:67][C@@H:68]([CH2:66][O:75][C:69]([CH2:63][CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:72])[O:77][C:71]([CH2:65][CH2:62]/[CH:59]=[CH:56]\[CH2:53]/[CH:50]=[CH:47]\[CH2:44]/[CH:41]=[CH:37]\[CH2:33]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:74] |
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