| Properties | Image |
|---|
| MNX_ID | MNXM1062331 |
 |
| reference | slm:000754951 |
| formula | C110H188N4O46 |
| global charge | -2 |
| mol weight | 2302.696 |
| InChIKey | UYWNINZJKUYCTP-OSUCGFMJSA-L |
| InChI | InChI=1S/C110H190N4O46/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-51-53-78(129)112-67(68(125)52-50-48-46-44-42-40-17-15-13-11-9-7-5-2)65-147-103-91(139)89(137)95(76(61-120)151-103)153-104-92(140)90(138)96(77(62-121)152-104)154-105-93(141)100(86(134)73(58-117)149-105)156-102-83(111-66(3)124)97(85(133)72(57-116)148-102)155-106-94(142)101(87(135)74(59-118)150-106)160-110(108(145)146)55-70(127)82(114-80(131)64-123)99(159-110)88(136)75(60-119)157-109(107(143)144)54-69(126)81(113-79(130)63-122)98(158-109)84(132)71(128)56-115/h12,14,18-19,21-22,24-25,27-28,67-77,81-106,115-123,125-128,132-142H,4-11,13,15-17,20,23,26,29-65H2,1-3H3,(H,111,124)(H,112,129)(H,113,130)(H,114,131)(H,143,144)(H,145,146)/p-2/b14-12-,19-18-,22-21-,25-24-,28-27-/t67-,68+,69-,70-,71+,72+,73+,74+,75+,76+,77+,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\C/C=C\CCCCCCCCCCCCCCCCCCC(=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(=O)CO)[C@H]([C@H](O)[C@@H](CO)O[C@]7(C(=O)[O-])C[C@H](O)[C@@H](NC(=O)CO)[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)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C110H190N4O46/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-51-53-78(129)112-67(68(125)52-50-48-46-44-42-40-17-15-13-11-9-7-5-2)65-147-103-91(139)89(137)95(76(61-120)151-103)153-104-92(140)90(138)96(77(62-121)152-104)154-105-93(141)100(86(134)73(58-117)149-105)156-102-83(111-66(3)124)97(85(133)72(57-116)148-102)155-106-94(142)101(87(135)74(59-118)150-106)160-110(108(145)146)55-70(127)82(114-80(131)64-123)99(159-110)88(136)75(60-119)157-109(107(143)144)54-69(126)81(113-79(130)63-122)98(158-109)84(132)71(128)56-115/h12,14,18-19,21-22,24-25,27-28,67-77,81-106,115-123,125-128,132-142H,4-11,13,15-17,20,23,26,29-65H2,1-3H3,(H,111,124)(H,112,129)(H,113,130)(H,114,131)(H,143,144)(H,145,146)/b14-12-,19-18-,22-21-,25-24-,28-27-/t67-,68+,69-,70-,71+,72+,73+,74+,75+,76+,77+,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][CH2:4][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]/[CH:27]=[CH:28]\[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][C:78](=[N:112][C@@H:67]([CH2:65][O:147][C@H:103]1[C@H:91]([OH:139])[C@@H:89]([OH:137])[C@H:95]([O:153][C@H:104]2[C@H:92]([OH:140])[C@@H:90]([OH:138])[C@@H:96]([O:154][C@@H:105]3[C@H:93]([OH:141])[C@@H:100]([O:156][C@H:102]4[C@H:83]([N:111]=[C:66]([CH3:3])[OH:124])[C@@H:97]([O:155][C@H:106]5[C@H:94]([OH:142])[C@@H:101]([O:160][C@:110]6([C:108](=[O:145])[OH:146])[CH2:55][C@H:70]([OH:127])[C@@H:82]([N:114]=[C:80]([CH2:64][OH:123])[OH:131])[C@H:99]([C@@H:88]([C@@H:75]([CH2:60][OH:119])[O:157][C@:109]7([C:107](=[O:143])[OH:144])[CH2:54][C@H:69]([OH:126])[C@@H:81]([N:113]=[C:79]([CH2:63][OH:122])[OH:130])[C@H:98]([C@@H:84]([C@@H:71]([CH2:56][OH:115])[OH:128])[OH:132])[O:158]7)[OH:136])[O:159]6)[C@@H:87]([OH:135])[C@@H:74]([CH2:59][OH:118])[O:150]5)[C@@H:85]([OH:133])[C@@H:72]([CH2:57][OH:116])[O:148]4)[C@@H:86]([OH:134])[C@@H:73]([CH2:58][OH:117])[O:149]3)[C@@H:77]([CH2:62][OH:121])[O:152]2)[C@@H:76]([CH2:61][OH:120])[O:151]1)[C@@H:68]([CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:125])[OH:129] |
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