| Properties | Image |
|---|
| MNX_ID | MNXM1057436 |
 |
| reference | slm:000749992 |
| formula | C110H190N4O45 |
| global charge | -2 |
| mol weight | 2288.713 |
| InChIKey | AYRYUBLRNTYICF-XNFQOULBSA-L |
| InChI | InChI=1S/C110H192N4O45/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-44-46-48-50-52-54-79(129)114-68(83(130)69(124)53-51-49-47-45-43-19-17-15-13-11-9-7-2)63-146-103-91(138)89(136)95(77(61-119)151-103)153-104-92(139)90(137)96(78(62-120)152-104)154-105-93(140)100(87(134)75(59-117)149-105)156-102-82(113-67(5)123)97(86(133)74(58-116)148-102)155-106-94(141)101(88(135)76(60-118)150-106)159-110(108(144)145)56-71(126)81(112-66(4)122)99(158-110)85(132)73(128)64-147-109(107(142)143)55-70(125)80(111-65(3)121)98(157-109)84(131)72(127)57-115/h14,16,20-21,23-24,26-27,68-78,80-106,115-120,124-128,130-141H,6-13,15,17-19,22,25,28-64H2,1-5H3,(H,111,121)(H,112,122)(H,113,123)(H,114,129)(H,142,143)(H,144,145)/p-2/b16-14-,21-20-,24-23-,27-26-/t68-,69+,70-,71-,72+,73+,74+,75+,76+,77+,78+,80+,81+,82+,83-,84+,85+,86-,87-,88-,89+,90+,91+,92+,93+,94+,95+,96-,97+,98+,99+,100-,101-,102-,103+,104-,105+,106-,109+,110-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCC(=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@]6(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO[C@]7(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O7)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)[C@H](O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C110H192N4O45/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-44-46-48-50-52-54-79(129)114-68(83(130)69(124)53-51-49-47-45-43-19-17-15-13-11-9-7-2)63-146-103-91(138)89(136)95(77(61-119)151-103)153-104-92(139)90(137)96(78(62-120)152-104)154-105-93(140)100(87(134)75(59-117)149-105)156-102-82(113-67(5)123)97(86(133)74(58-116)148-102)155-106-94(141)101(88(135)76(60-118)150-106)159-110(108(144)145)56-71(126)81(112-66(4)122)99(158-110)85(132)73(128)64-147-109(107(142)143)55-70(125)80(111-65(3)121)98(157-109)84(131)72(127)57-115/h14,16,20-21,23-24,26-27,68-78,80-106,115-120,124-128,130-141H,6-13,15,17-19,22,25,28-64H2,1-5H3,(H,111,121)(H,112,122)(H,113,123)(H,114,129)(H,142,143)(H,144,145)/b16-14-,21-20-,24-23-,27-26-/t68-,69+,70-,71-,72+,73+,74+,75+,76+,77+,78+,80+,81+,82+,83-,84+,85+,86-,87-,88-,89+,90+,91+,92+,93+,94+,95+,96-,97+,98+,99+,100-,101-,102-,103+,104-,105+,106-,109+,110-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][C:79](=[N:114][C@@H:68]([CH2:63][O:146][C@H:103]1[C@H:91]([OH:138])[C@@H:89]([OH:136])[C@H:95]([O:153][C@H:104]2[C@H:92]([OH:139])[C@@H:90]([OH:137])[C@@H:96]([O:154][C@@H:105]3[C@H:93]([OH:140])[C@@H:100]([O:156][C@H:102]4[C@H:82]([N:113]=[C:67]([CH3:5])[OH:123])[C@@H:97]([O:155][C@H:106]5[C@H:94]([OH:141])[C@@H:101]([O:159][C@:110]6([C:108](=[O:144])[OH:145])[CH2:56][C@H:71]([OH:126])[C@@H:81]([N:112]=[C:66]([CH3:4])[OH:122])[C@H:99]([C@@H:85]([C@@H:73]([CH2:64][O:147][C@:109]7([C:107](=[O:142])[OH:143])[CH2:55][C@H:70]([OH:125])[C@@H:80]([N:111]=[C:65]([CH3:3])[OH:121])[C@H:98]([C@@H:84]([C@@H:72]([CH2:57][OH:115])[OH:127])[OH:131])[O:157]7)[OH:128])[OH:132])[O:158]6)[C@@H:88]([OH:135])[C@@H:76]([CH2:60][OH:118])[O:150]5)[C@@H:86]([OH:133])[C@@H:74]([CH2:58][OH:116])[O:148]4)[C@@H:87]([OH:134])[C@@H:75]([CH2:59][OH:117])[O:149]3)[C@@H:78]([CH2:62][OH:120])[O:152]2)[C@@H:77]([CH2:61][OH:119])[O:151]1)[C@@H:83]([C@@H:69]([CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:124])[OH:130])[OH:129] |
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