| Properties | Image |
|---|
| MNX_ID | MNXM30818 |
 |
| reference | chebi:62593 |
| formula | C85H168O4 |
| global charge | 0 |
| mol weight | 1254.275 |
| InChIKey | AAIWMXAOKUXQTP-XAJBLSMSSA-N |
| InChI | InChI=1S/C85H168O4/c1-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-32-39-45-51-57-63-69-75-82(85(87)88)83(86)76-70-64-58-52-46-40-33-29-31-37-43-49-55-61-67-73-80-78-81(80)74-68-62-56-50-44-38-34-35-41-47-53-59-65-71-77-84(89-4)79(3)72-66-60-54-48-42-36-30-22-20-18-16-14-12-10-8-6-2/h79-84,86H,5-78H2,1-4H3,(H,87,88)/t79-,80-,81+,82+,83+,84-/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCC[C@@H](C(=O)O)[C@H](O)CCCCCCCCCCCCCCCCC[C@H]1C[C@H]1CCCCCCCCCCCCCCCC[C@H](OC)[C@@H](C)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C85H168O4/c1-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-32-39-45-51-57-63-69-75-82(85(87)88)83(86)76-70-64-58-52-46-40-33-29-31-37-43-49-55-61-67-73-80-78-81(80)74-68-62-56-50-44-38-34-35-41-47-53-59-65-71-77-84(89-4)79(3)72-66-60-54-48-42-36-30-22-20-18-16-14-12-10-8-6-2/h79-84,86H,5-78H2,1-4H3,(H,87,88)/t79-,80-,81+,82+,83+,84-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:32][CH2:39][CH2:45][CH2:51][CH2:57][CH2:63][CH2:69][CH2:75][C@H:82]([C@@H:83]([CH2:76][CH2:70][CH2:64][CH2:58][CH2:52][CH2:46][CH2:40][CH2:33][CH2:29][CH2:31][CH2:37][CH2:43][CH2:49][CH2:55][CH2:61][CH2:67][CH2:73][C@H:80]1[CH2:78][C@H:81]1[CH2:74][CH2:68][CH2:62][CH2:56][CH2:50][CH2:44][CH2:38][CH2:34][CH2:35][CH2:41][CH2:47][CH2:53][CH2:59][CH2:65][CH2:71][CH2:77][C@@H:84]([C@@H:79]([CH3:3])[CH2:72][CH2:66][CH2:60][CH2:54][CH2:48][CH2:42][CH2:36][CH2:30][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[O:89][CH3:4])[OH:86])[C:85](=[O:87])[OH:88] |
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