| Properties | Image |
|---|
| MNX_ID | MNXM1056363 |
 |
| reference | slm:000748801 |
| formula | C86H154N2O28 |
| global charge | 0 |
| mol weight | 1664.164 |
| InChIKey | SQAMAWDEGPWXNB-JRBVMEDKSA-N |
| InChI | InChI=1S/C86H154N2O28/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-66(96)88-59(60(95)50-48-46-44-42-40-38-17-15-13-11-9-7-5-2)57-107-83-75(104)72(101)78(64(55-92)111-83)113-85-76(105)73(102)79(65(56-93)112-85)114-86-77(106)81(70(99)63(54-91)110-86)116-82-67(87-58(3)94)80(69(98)62(53-90)108-82)115-84-74(103)71(100)68(97)61(52-89)109-84/h12,14,18-19,21-22,24-25,59-65,67-86,89-93,95,97-106H,4-11,13,15-17,20,23,26-57H2,1-3H3,(H,87,94)(H,88,96)/b14-12-,19-18-,22-21-,25-24-/t59-,60+,61+,62+,63+,64+,65+,67+,68-,69-,70-,71-,72+,73+,74+,75+,76+,77+,78+,79-,80+,81-,82-,83+,84-,85-,86+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C86H154N2O28/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-66(96)88-59(60(95)50-48-46-44-42-40-38-17-15-13-11-9-7-5-2)57-107-83-75(104)72(101)78(64(55-92)111-83)113-85-76(105)73(102)79(65(56-93)112-85)114-86-77(106)81(70(99)63(54-91)110-86)116-82-67(87-58(3)94)80(69(98)62(53-90)108-82)115-84-74(103)71(100)68(97)61(52-89)109-84/h12,14,18-19,21-22,24-25,59-65,67-86,89-93,95,97-106H,4-11,13,15-17,20,23,26-57H2,1-3H3,(H,87,94)(H,88,96)/b14-12-,19-18-,22-21-,25-24-/t59-,60+,61+,62+,63+,64+,65+,67+,68-,69-,70-,71-,72+,73+,74+,75+,76+,77+,78+,79-,80+,81-,82-,83+,84-,85-,86+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10]/[CH:12]=[CH:14]\[CH2:16]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][C:66](=[N:88][C@@H:59]([CH2:57][O:107][C@H:83]1[C@H:75]([OH:104])[C@@H:72]([OH:101])[C@H:78]([O:113][C@H:85]2[C@H:76]([OH:105])[C@@H:73]([OH:102])[C@@H:79]([O:114][C@@H:86]3[C@H:77]([OH:106])[C@@H:81]([O:116][C@H:82]4[C@H:67]([N:87]=[C:58]([CH3:3])[OH:94])[C@@H:80]([O:115][C@H:84]5[C@H:74]([OH:103])[C@@H:71]([OH:100])[C@@H:68]([OH:97])[C@@H:61]([CH2:52][OH:89])[O:109]5)[C@@H:69]([OH:98])[C@@H:62]([CH2:53][OH:90])[O:108]4)[C@@H:70]([OH:99])[C@@H:63]([CH2:54][OH:91])[O:110]3)[C@@H:65]([CH2:56][OH:93])[O:112]2)[C@@H:64]([CH2:55][OH:92])[O:111]1)[C@@H:60]([CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:95])[OH:96] |
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