| Properties | Image |
|---|
| MNX_ID | MNXM175548 |
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| reference | slm:000276613 |
| formula | C69H114O6 |
| global charge | 0 |
| mol weight | 1039.665 |
| InChIKey | VGEBRGXRPYFOEA-WAZKMZKVSA-N |
| InChI | InChI=1S/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-38-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,40,42-43,45,49,51-52,54,66H,4-7,10,13-16,19,22-25,28,31-39,41,44,46-48,50,53,55-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,43-40-,45-42-,52-49-,54-51-/t66-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC |
MNX internals
| InChI (mnx) | InChI=1/C69H114O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-38-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-37-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,26-27,29-30,40,42-43,45,49,51-52,54,66H,4-7,10,13-16,19,22-25,28,31-39,41,44,46-48,50,53,55-65H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,29-26-,30-27-,43-40-,45-42-,52-49-,54-51-/t66-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:39][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][CH2:62][C:68](=[O:71])[O:74][CH2:65][C@@H:66]([CH2:64][O:73][C:67]([CH2:61][CH2:58][CH2:55]/[CH:52]=[CH:49]\[CH2:46]/[CH:43]=[CH:40]\[CH2:37]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:70])[O:75][C:69]([CH2:63][CH2:60][CH2:57]/[CH:54]=[CH:51]\[CH2:48]/[CH:45]=[CH:42]\[CH2:38]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:72] |
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