| Properties | Image |
|---|
| MNX_ID | MNXM224516 |
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| reference | slm:000304377 |
| formula | C77H140O6 |
| global charge | 0 |
| mol weight | 1161.961 |
| InChIKey | BFOZFPDATPCFTN-FVRPRCBUSA-N |
| InChI | InChI=1S/C77H140O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-37-38-39-41-44-47-50-53-56-59-62-65-68-71-77(80)83-74(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)73-82-76(79)70-67-64-61-58-55-52-49-46-43-40-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,35,40,46,49,74H,4-16,18-19,21-25,28,31-34,36-39,41-45,47-48,50-73H2,1-3H3/b20-17-,29-26-,30-27-,40-35-,49-46-/t74-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C77H140O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-37-38-39-41-44-47-50-53-56-59-62-65-68-71-77(80)83-74(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)73-82-76(79)70-67-64-61-58-55-52-49-46-43-40-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26-27,29-30,35,40,46,49,74H,4-16,18-19,21-25,28,31-34,36-39,41-45,47-48,50-73H2,1-3H3/b20-17-,29-26-,30-27-,40-35-,49-46-/t74-/m1/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][CH2:37][CH2:38][CH2:39][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][CH2:62][CH2:65][CH2:68][CH2:71][C:77](=[O:80])[O:83][C@H:74]([CH2:72][O:81][C:75]([CH2:69][CH2:66][CH2:63][CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:33]/[CH:30]=[CH:27]\[CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:78])[CH2:73][O:82][C:76]([CH2:70][CH2:67][CH2:64][CH2:61][CH2:58][CH2:55][CH2:52]/[CH:49]=[CH:46]\[CH2:43]/[CH:40]=[CH:35]\[CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:79] |
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