| Properties | Image |
|---|
| MNX_ID | MNXM150629 |
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| reference | chebi:84348 |
| formula | C82H153O18S |
| global charge | -1 |
| mol weight | 1459.175 |
| InChIKey | DFRNWNHASOQNJG-ORLFPALOSA-M |
| InChI | InChI=1S/C82H154O18S/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-71(83)93-67-69-75(87)77(89)79(100-101(90,91)92)81(95-69)99-82-80(98-74(86)66-62-58-54-50-45-39-32-28-24-20-16-12-8-4)78(97-73(85)65-61-57-53-49-46-42-38-35-31-27-23-19-15-11-7-3)76(88)70(96-82)68-94-72(84)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h69-70,75-82,87-89H,5-68H2,1-4H3,(H,90,91,92)/p-1/t69-,70-,75-,76-,77+,78+,79-,80-,81-,82-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)[C@@H](O)[C@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCCCCCC)[C@H](OS(=O)(=O)[O-])[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C82H154O18S/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-71(83)93-67-69-75(87)77(89)79(100-101(90,91)92)81(95-69)99-82-80(98-74(86)66-62-58-54-50-45-39-32-28-24-20-16-12-8-4)78(97-73(85)65-61-57-53-49-46-42-38-35-31-27-23-19-15-11-7-3)76(88)70(96-82)68-94-72(84)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h69-70,75-82,87-89H,5-68H2,1-4H3,(H,90,91,92)/t69-,70-,75-,76-,77+,78+,79-,80-,81-,82-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:9][CH2:13][CH2:17][CH2:21][CH2:25][CH2:29][CH2:33][CH2:36][CH2:40][CH2:43][CH2:47][CH2:51][CH2:55][CH2:59][CH2:63][C:71](=[O:83])[O:93][CH2:67][C@@H:69]1[C@@H:75]([OH:87])[C@H:77]([OH:89])[C@@H:79]([O:100][S:101]([OH:90])(=[O:91])=[O:92])[C@@H:81]([O:99][C@@H:82]2[C@H:80]([O:98][C:74]([CH2:66][CH2:62][CH2:58][CH2:54][CH2:50][CH2:45][CH2:39][CH2:32][CH2:28][CH2:24][CH2:20][CH2:16][CH2:12][CH2:8][CH3:4])=[O:86])[C@@H:78]([O:97][C:73]([CH2:65][CH2:61][CH2:57][CH2:53][CH2:49][CH2:46][CH2:42][CH2:38][CH2:35][CH2:31][CH2:27][CH2:23][CH2:19][CH2:15][CH2:11][CH2:7][CH3:3])=[O:85])[C@H:76]([OH:88])[C@@H:70]([CH2:68][O:94][C:72]([CH2:64][CH2:60][CH2:56][CH2:52][CH2:48][CH2:44][CH2:41][CH2:37][CH2:34][CH2:30][CH2:26][CH2:22][CH2:18][CH2:14][CH2:10][CH2:6][CH3:2])=[O:84])[O:96]2)[O:95]1 |
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