| Properties | Image |
|---|
| MNX_ID | MNXM1056737 |
 |
| reference | slm:000749277 |
| formula | C92H154N4O44 |
| global charge | -2 |
| mol weight | 2020.228 |
| InChIKey | CYXXGOIUPWOGRF-ZZCKXVPKSA-L |
| InChI | InChI=1S/C92H156N4O44/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-62(111)96-51(52(106)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)46-127-85-73(119)71(117)77(59(44-101)131-85)134-86-74(120)72(118)78(60(45-102)132-86)135-87-75(121)82(68(114)57(42-99)129-87)137-84-65(95-50(5)105)79(70(116)61(133-84)47-128-91(89(123)124)38-53(107)63(93-48(3)103)80(138-91)66(112)55(109)40-97)136-88-76(122)83(69(115)58(43-100)130-88)140-92(90(125)126)39-54(108)64(94-49(4)104)81(139-92)67(113)56(110)41-98/h8,10,14,16,20-21,23,25,51-61,63-88,97-102,106-110,112-122H,6-7,9,11-13,15,17-19,22,24,26-47H2,1-5H3,(H,93,103)(H,94,104)(H,95,105)(H,96,111)(H,123,124)(H,125,126)/p-2/b10-8-,16-14-,21-20-,25-23-/t51-,52+,53-,54-,55+,56+,57+,58+,59+,60+,61+,63+,64+,65+,66+,67+,68-,69-,70-,71+,72+,73+,74+,75+,76+,77+,78-,79+,80+,81+,82-,83-,84-,85+,86-,87+,88-,91+,92-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=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@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@]6(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[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/C92H156N4O44/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-62(111)96-51(52(106)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)46-127-85-73(119)71(117)77(59(44-101)131-85)134-86-74(120)72(118)78(60(45-102)132-86)135-87-75(121)82(68(114)57(42-99)129-87)137-84-65(95-50(5)105)79(70(116)61(133-84)47-128-91(89(123)124)38-53(107)63(93-48(3)103)80(138-91)66(112)55(109)40-97)136-88-76(122)83(69(115)58(43-100)130-88)140-92(90(125)126)39-54(108)64(94-49(4)104)81(139-92)67(113)56(110)41-98/h8,10,14,16,20-21,23,25,51-61,63-88,97-102,106-110,112-122H,6-7,9,11-13,15,17-19,22,24,26-47H2,1-5H3,(H,93,103)(H,94,104)(H,95,105)(H,96,111)(H,123,124)(H,125,126)/b10-8-,16-14-,21-20-,25-23-/t51-,52+,53-,54-,55+,56+,57+,58+,59+,60+,61+,63+,64+,65+,66+,67+,68-,69-,70-,71+,72+,73+,74+,75+,76+,77+,78-,79+,80+,81+,82-,83-,84-,85+,86-,87+,88-,91+,92-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6]/[CH:8]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:25]\[CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:62](=[N:96][C@@H:51]([CH2:46][O:127][C@H:85]1[C@H:73]([OH:119])[C@@H:71]([OH:117])[C@H:77]([O:134][C@H:86]2[C@H:74]([OH:120])[C@@H:72]([OH:118])[C@@H:78]([O:135][C@@H:87]3[C@H:75]([OH:121])[C@@H:82]([O:137][C@H:84]4[C@H:65]([N:95]=[C:50]([CH3:5])[OH:105])[C@@H:79]([O:136][C@H:88]5[C@H:76]([OH:122])[C@@H:83]([O:140][C@:92]6([C:90](=[O:125])[OH:126])[CH2:39][C@H:54]([OH:108])[C@@H:64]([N:94]=[C:49]([CH3:4])[OH:104])[C@H:81]([C@@H:67]([C@@H:56]([CH2:41][OH:98])[OH:110])[OH:113])[O:139]6)[C@@H:69]([OH:115])[C@@H:58]([CH2:43][OH:100])[O:130]5)[C@@H:70]([OH:116])[C@@H:61]([CH2:47][O:128][C@:91]5([C:89](=[O:123])[OH:124])[CH2:38][C@H:53]([OH:107])[C@@H:63]([N:93]=[C:48]([CH3:3])[OH:103])[C@H:80]([C@@H:66]([C@@H:55]([CH2:40][OH:97])[OH:109])[OH:112])[O:138]5)[O:133]4)[C@@H:68]([OH:114])[C@@H:57]([CH2:42][OH:99])[O:129]3)[C@@H:60]([CH2:45][OH:102])[O:132]2)[C@@H:59]([CH2:44][OH:101])[O:131]1)[C@@H:52]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:106])[OH:111] |
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