| Properties | Image |
|---|
| MNX_ID | MNXM525202 |
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| reference | slm:000485908 |
| formula | C107H174N5O47 |
| global charge | -3 |
| mol weight | 2282.557 |
| InChIKey | IEXRURUQFJHEKK-LFJWZNSNSA-K |
| InChI | InChI=1S/C107H177N5O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-76(130)112-64(65(123)47-45-43-41-39-37-35-20-18-16-14-12-10-8-2)58-146-99-87(137)86(136)90(73(56-117)149-99)152-101-89(139)97(159-107(104(144)145)51-68(126)79(110-62(5)121)95(157-107)83(133)71(129)54-115)91(74(57-118)150-101)153-98-80(111-63(6)122)92(85(135)75(151-98)59-147-105(102(140)141)49-66(124)77(108-60(3)119)93(155-105)81(131)69(127)52-113)154-100-88(138)96(84(134)72(55-116)148-100)158-106(103(142)143)50-67(125)78(109-61(4)120)94(156-106)82(132)70(128)53-114/h9,11,15,17,21-22,24-25,27-28,30-31,45,47,64-75,77-101,113-118,123-129,131-139H,7-8,10,12-14,16,18-20,23,26,29,32-44,46,48-59H2,1-6H3,(H,108,119)(H,109,120)(H,110,121)(H,111,122)(H,112,130)(H,140,141)(H,142,143)(H,144,145)/p-3/b11-9-,17-15-,22-21-,25-24-,28-27-,31-30-,47-45+/t64-,65+,66-,67-,68-,69+,70+,71+,72+,73+,74+,75+,77+,78+,79+,80+,81+,82+,83+,84-,85-,86+,87+,88+,89+,90+,91-,92+,93+,94+,95+,96-,97+,98-,99+,100-,101-,105+,106-,107-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=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@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[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]4O)[C@H]3NC(C)=O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C107H177N5O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-76(130)112-64(65(123)47-45-43-41-39-37-35-20-18-16-14-12-10-8-2)58-146-99-87(137)86(136)90(73(56-117)149-99)152-101-89(139)97(159-107(104(144)145)51-68(126)79(110-62(5)121)95(157-107)83(133)71(129)54-115)91(74(57-118)150-101)153-98-80(111-63(6)122)92(85(135)75(151-98)59-147-105(102(140)141)49-66(124)77(108-60(3)119)93(155-105)81(131)69(127)52-113)154-100-88(138)96(84(134)72(55-116)148-100)158-106(103(142)143)50-67(125)78(109-61(4)120)94(156-106)82(132)70(128)53-114/h9,11,15,17,21-22,24-25,27-28,30-31,45,47,64-75,77-101,113-118,123-129,131-139H,7-8,10,12-14,16,18-20,23,26,29,32-44,46,48-59H2,1-6H3,(H,108,119)(H,109,120)(H,110,121)(H,111,122)(H,112,130)(H,140,141)(H,142,143)(H,144,145)/b11-9-,17-15-,22-21-,25-24-,28-27-,31-30-,47-45+/t64-,65+,66-,67-,68-,69+,70+,71+,72+,73+,74+,75+,77+,78+,79+,80+,81+,82+,83+,84-,85-,86+,87+,88+,89+,90+,91-,92+,93+,94+,95+,96-,97+,98-,99+,100-,101-,105+,106-,107-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:7]/[CH:9]=[CH:11]\[CH2:13]/[CH:15]=[CH:17]\[CH2:19]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29]/[CH:30]=[CH:31]\[CH2:32][CH2:33][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][C:76](=[N:112][C@@H:64]([CH2:58][O:146][C@H:99]1[C@H:87]([OH:137])[C@@H:86]([OH:136])[C@H:90]([O:152][C@H:101]2[C@H:89]([OH:139])[C@@H:97]([O:159][C@:107]3([C:104](=[O:144])[OH:145])[CH2:51][C@H:68]([OH:126])[C@@H:79]([N:110]=[C:62]([CH3:5])[OH:121])[C@H:95]([C@@H:83]([C@@H:71]([CH2:54][OH:115])[OH:129])[OH:133])[O:157]3)[C@@H:91]([O:153][C@H:98]3[C@H:80]([N:111]=[C:63]([CH3:6])[OH:122])[C@@H:92]([O:154][C@H:100]4[C@H:88]([OH:138])[C@@H:96]([O:158][C@:106]5([C:103](=[O:142])[OH:143])[CH2:50][C@H:67]([OH:125])[C@@H:78]([N:109]=[C:61]([CH3:4])[OH:120])[C@H:94]([C@@H:82]([C@@H:70]([CH2:53][OH:114])[OH:128])[OH:132])[O:156]5)[C@@H:84]([OH:134])[C@@H:72]([CH2:55][OH:116])[O:148]4)[C@@H:85]([OH:135])[C@@H:75]([CH2:59][O:147][C@:105]4([C:102](=[O:140])[OH:141])[CH2:49][C@H:66]([OH:124])[C@@H:77]([N:108]=[C:60]([CH3:3])[OH:119])[C@H:93]([C@@H:81]([C@@H:69]([CH2:52][OH:113])[OH:127])[OH:131])[O:155]4)[O:151]3)[C@@H:74]([CH2:57][OH:118])[O:150]2)[C@@H:73]([CH2:56][OH:117])[O:149]1)[C@@H:65](/[CH:47]=[CH:45]/[CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH3:2])[OH:123])[OH:130] |
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