| Properties | Image |
|---|
| MNX_ID | MNXM525993 |
 |
| reference | chebi:90345 |
| formula | C88H174O6 |
| global charge | 0 |
| mol weight | 1328.354 |
| InChIKey | VQJLNJJDZHRPSJ-ZIWZMFKNSA-N |
| InChI | InChI=1S/C88H174O6/c1-5-7-9-11-13-15-17-19-21-23-24-25-26-27-30-34-38-45-51-57-63-69-75-85(88(92)94-80-84(90)79-89)86(91)76-70-64-58-52-46-41-40-44-50-56-62-68-74-83-78-82(83)73-67-61-55-49-43-37-33-29-28-31-35-39-47-53-59-65-71-77-87(93-4)81(3)72-66-60-54-48-42-36-32-22-20-18-16-14-12-10-8-6-2/h81-87,89-91H,5-80H2,1-4H3/t81?,82?,83?,84?,85-,86-,87?/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCC[C@@H](C(=O)OCC(O)CO)[C@H](O)CCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C88H174O6/c1-5-7-9-11-13-15-17-19-21-23-24-25-26-27-30-34-38-45-51-57-63-69-75-85(88(92)94-80-84(90)79-89)86(91)76-70-64-58-52-46-41-40-44-50-56-62-68-74-83-78-82(83)73-67-61-55-49-43-37-33-29-28-31-35-39-47-53-59-65-71-77-87(93-4)81(3)72-66-60-54-48-42-36-32-22-20-18-16-14-12-10-8-6-2/h81-87,89-91H,5-80H2,1-4H3/t81?,82?,83?,84?,85-,86-,87?/m1/s1 |
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| 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][CH2:30][CH2:34][CH2:38][CH2:45][CH2:51][CH2:57][CH2:63][CH2:69][CH2:75][C@H:85]([C@@H:86]([CH2:76][CH2:70][CH2:64][CH2:58][CH2:52][CH2:46][CH2:41][CH2:40][CH2:44][CH2:50][CH2:56][CH2:62][CH2:68][CH2:74][CH:83]1[CH2:78][CH:82]1[CH2:73][CH2:67][CH2:61][CH2:55][CH2:49][CH2:43][CH2:37][CH2:33][CH2:29][CH2:28][CH2:31][CH2:35][CH2:39][CH2:47][CH2:53][CH2:59][CH2:65][CH2:71][CH2:77][CH:87]([CH:81]([CH3:3])[CH2:72][CH2:66][CH2:60][CH2:54][CH2:48][CH2:42][CH2:36][CH2:32][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[O:93][CH3:4])[OH:91])[C:88](=[O:92])[O:94][CH2:80][CH:84]([CH2:79][OH:89])[OH:90] |
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