| Properties | Image |
|---|
| MNX_ID | MNXM177046 |
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| reference | slm:000306590 |
| formula | C81H148O6 |
| global charge | 0 |
| mol weight | 1218.069 |
| InChIKey | DFASBBXQXCYTER-QUNDPRITSA-N |
| InChI | InChI=1S/C81H148O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-38-40-42-44-47-50-53-56-59-62-65-68-71-74-80(83)86-77-78(76-85-79(82)73-70-67-64-61-58-55-52-49-46-33-30-27-24-21-18-15-12-9-6-3)87-81(84)75-72-69-66-63-60-57-54-51-48-45-43-41-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,46,49,55,58,78H,4-8,10-11,13-17,19-20,22-26,28-29,31-45,47-48,50-54,56-57,59-77H2,1-3H3/b12-9-,21-18-,30-27-,49-46-,58-55-/t78-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C81H148O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-38-40-42-44-47-50-53-56-59-62-65-68-71-74-80(83)86-77-78(76-85-79(82)73-70-67-64-61-58-55-52-49-46-33-30-27-24-21-18-15-12-9-6-3)87-81(84)75-72-69-66-63-60-57-54-51-48-45-43-41-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,46,49,55,58,78H,4-8,10-11,13-17,19-20,22-26,28-29,31-45,47-48,50-54,56-57,59-77H2,1-3H3/b12-9-,21-18-,30-27-,49-46-,58-55-/t78-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:31][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][CH2:62][CH2:65][CH2:68][CH2:71][CH2:74][C:80](=[O:83])[O:86][CH2:77][C@H:78]([CH2:76][O:85][C:79]([CH2:73][CH2:70][CH2:67][CH2:64][CH2:61]/[CH:58]=[CH:55]\[CH2:52]/[CH:49]=[CH:46]\[CH2:33]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:82])[O:87][C:81]([CH2:75][CH2:72][CH2:69][CH2:66][CH2:63][CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:32][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:84] |
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