| Properties | Image |
|---|
| MNX_ID | MNXM175265 |
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| reference | slm:000304234 |
| formula | C77H138O6 |
| global charge | 0 |
| mol weight | 1159.945 |
| InChIKey | QNDSTSFAGCLBIF-JFXOFNNLSA-N |
| InChI | InChI=1S/C77H138O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-38-40-43-46-49-52-55-58-61-64-67-70-76(79)82-73-74(72-81-75(78)69-66-63-60-57-54-51-48-45-42-33-30-27-24-21-18-15-12-9-6-3)83-77(80)71-68-65-62-59-56-53-50-47-44-41-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,42,45,51,54,74H,4-17,19-20,22-24,31-41,43-44,46-50,52-53,55-73H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,45-42-,54-51-/t74-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C77H138O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-38-40-43-46-49-52-55-58-61-64-67-70-76(79)82-73-74(72-81-75(78)69-66-63-60-57-54-51-48-45-42-33-30-27-24-21-18-15-12-9-6-3)83-77(80)71-68-65-62-59-56-53-50-47-44-41-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,42,45,51,54,74H,4-17,19-20,22-24,31-41,43-44,46-50,52-53,55-73H2,1-3H3/b21-18-,28-25-,29-26-,30-27-,45-42-,54-51-/t74-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:25]=[CH:28]\[CH2:31][CH2:34][CH2:36][CH2:38][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][CH2:58][CH2:61][CH2:64][CH2:67][CH2:70][C:76](=[O:79])[O:82][CH2:73][C@H:74]([CH2:72][O:81][C:75]([CH2:69][CH2:66][CH2:63][CH2:60][CH2:57]/[CH:54]=[CH:51]\[CH2:48]/[CH:45]=[CH:42]\[CH2:33]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:78])[O:83][C:77]([CH2:71][CH2:68][CH2:65][CH2:62][CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:39][CH2:37][CH2:35][CH2:32]/[CH:29]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:80] |
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