| Properties | Image |
|---|
| MNX_ID | MNXM22176 |
 |
| reference | metacycM:CPD-12265 |
| formula | C81H146O10 |
| global charge | 0 |
| mol weight | 1280.049 |
| InChIKey | RIKUIOFNVSXJKT-CDYUWLHDSA-N |
| InChI | InChI=1S/C81H146O10/c1-6-11-16-19-22-25-26-27-28-29-30-41-48-55-62-71-81(86)91-76(72-87-77(82)67-58-51-44-39-33-31-37-42-49-56-65-74(63-14-9-4)89-79(84)69-60-53-46-35-23-20-17-12-7-2)73-88-78(83)68-59-52-45-40-34-32-38-43-50-57-66-75(64-15-10-5)90-80(85)70-61-54-47-36-24-21-18-13-8-3/h22,25,27-28,49-50,56-57,74-76H,6-21,23-24,26,29-48,51-55,58-73H2,1-5H3/b25-22+,28-27+,56-49-,57-50- |
| SMILES | CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC/C=C\CC(CCCC)OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CC(CCCC)OC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C81H146O10/c1-6-11-16-19-22-25-26-27-28-29-30-41-48-55-62-71-81(86)91-76(72-87-77(82)67-58-51-44-39-33-31-37-42-49-56-65-74(63-14-9-4)89-79(84)69-60-53-46-35-23-20-17-12-7-2)73-88-78(83)68-59-52-45-40-34-32-38-43-50-57-66-75(64-15-10-5)90-80(85)70-61-54-47-36-24-21-18-13-8-3/h22,25,27-28,49-50,56-57,74-76H,6-21,23-24,26,29-48,51-55,58-73H2,1-5H3/b25-22+,28-27+,56-49-,57-50-/t74?,75?,76? |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:11][CH2:16][CH2:19]/[CH:22]=[CH:25]/[CH2:26]/[CH:27]=[CH:28]/[CH2:29][CH2:30][CH2:41][CH2:48][CH2:55][CH2:62][CH2:71][C:81](=[O:86])[O:91][CH:76]([CH2:72][O:87][C:77]([CH2:67][CH2:58][CH2:51][CH2:44][CH2:39][CH2:33][CH2:31][CH2:37][CH2:42]/[CH:49]=[CH:56]\[CH2:65][CH:74]([CH2:63][CH2:14][CH2:9][CH3:4])[O:89][C:79]([CH2:69][CH2:60][CH2:53][CH2:46][CH2:35][CH2:23][CH2:20][CH2:17][CH2:12][CH2:7][CH3:2])=[O:84])=[O:82])[CH2:73][O:88][C:78]([CH2:68][CH2:59][CH2:52][CH2:45][CH2:40][CH2:34][CH2:32][CH2:38][CH2:43]/[CH:50]=[CH:57]\[CH2:66][CH:75]([CH2:64][CH2:15][CH2:10][CH3:5])[O:90][C:80]([CH2:70][CH2:61][CH2:54][CH2:47][CH2:36][CH2:24][CH2:21][CH2:18][CH2:13][CH2:8][CH3:3])=[O:85])=[O:83] |
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