| Properties | Image |
|---|
| MNX_ID | MNXM525301 |
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| reference | slm:000486358 |
| formula | C115H192N5O47 |
| global charge | -3 |
| mol weight | 2396.789 |
| InChIKey | UNZDMTZMORBSMA-KDLPJSJMSA-K |
| InChI | InChI=1S/C115H195N5O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-44-46-48-50-52-54-56-84(138)120-72(73(132)55-53-51-49-47-45-43-20-18-16-14-12-10-8-2)67-154-107-95(145)94(144)98(82(65-126)157-107)159-109-97(147)105(167-115(112(152)153)59-76(135)87(118-70(5)130)103(165-115)93(143)81(64-125)162-113(110(148)149)57-74(133)85(116-68(3)128)101(163-113)89(139)77(136)60-121)99(83(66-127)158-109)160-106-88(119-71(6)131)100(91(141)79(62-123)155-106)161-108-96(146)104(92(142)80(63-124)156-108)166-114(111(150)151)58-75(134)86(117-69(4)129)102(164-114)90(140)78(137)61-122/h9,11,15,17,21-22,24-25,27-28,53,55,72-83,85-109,121-127,132-137,139-147H,7-8,10,12-14,16,18-20,23,26,29-52,54,56-67H2,1-6H3,(H,116,128)(H,117,129)(H,118,130)(H,119,131)(H,120,138)(H,148,149)(H,150,151)(H,152,153)/p-3/b11-9-,17-15-,22-21-,25-24-,28-27-,55-53+/t72-,73+,74-,75-,76-,77+,78+,79+,80+,81+,82+,83+,85+,86+,87+,88+,89+,90+,91-,92-,93+,94+,95+,96+,97+,98+,99-,100+,101+,102+,103+,104-,105+,106-,107+,108-,109-,113+,114-,115-/m0/s1 |
| SMILES | CC/C=C\C/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@]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](CO)O[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C115H195N5O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-44-46-48-50-52-54-56-84(138)120-72(73(132)55-53-51-49-47-45-43-20-18-16-14-12-10-8-2)67-154-107-95(145)94(144)98(82(65-126)157-107)159-109-97(147)105(167-115(112(152)153)59-76(135)87(118-70(5)130)103(165-115)93(143)81(64-125)162-113(110(148)149)57-74(133)85(116-68(3)128)101(163-113)89(139)77(136)60-121)99(83(66-127)158-109)160-106-88(119-71(6)131)100(91(141)79(62-123)155-106)161-108-96(146)104(92(142)80(63-124)156-108)166-114(111(150)151)58-75(134)86(117-69(4)129)102(164-114)90(140)78(137)61-122/h9,11,15,17,21-22,24-25,27-28,53,55,72-83,85-109,121-127,132-137,139-147H,7-8,10,12-14,16,18-20,23,26,29-52,54,56-67H2,1-6H3,(H,116,128)(H,117,129)(H,118,130)(H,119,131)(H,120,138)(H,148,149)(H,150,151)(H,152,153)/b11-9-,17-15-,22-21-,25-24-,28-27-,55-53+/t72-,73+,74-,75-,76-,77+,78+,79+,80+,81+,82+,83+,85+,86+,87+,88+,89+,90+,91-,92-,93+,94+,95+,96+,97+,98+,99-,100+,101+,102+,103+,104-,105+,106-,107+,108-,109-,113+,114-,115-/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][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][CH2:56][C:84](=[N:120][C@@H:72]([CH2:67][O:154][C@H:107]1[C@H:95]([OH:145])[C@@H:94]([OH:144])[C@H:98]([O:159][C@H:109]2[C@H:97]([OH:147])[C@@H:105]([O:167][C@:115]3([C:112](=[O:152])[OH:153])[CH2:59][C@H:76]([OH:135])[C@@H:87]([N:118]=[C:70]([CH3:5])[OH:130])[C@H:103]([C@@H:93]([C@@H:81]([CH2:64][OH:125])[O:162][C@:113]4([C:110](=[O:148])[OH:149])[CH2:57][C@H:74]([OH:133])[C@@H:85]([N:116]=[C:68]([CH3:3])[OH:128])[C@H:101]([C@@H:89]([C@@H:77]([CH2:60][OH:121])[OH:136])[OH:139])[O:163]4)[OH:143])[O:165]3)[C@@H:99]([O:160][C@H:106]3[C@H:88]([N:119]=[C:71]([CH3:6])[OH:131])[C@@H:100]([O:161][C@H:108]4[C@H:96]([OH:146])[C@@H:104]([O:166][C@:114]5([C:111](=[O:150])[OH:151])[CH2:58][C@H:75]([OH:134])[C@@H:86]([N:117]=[C:69]([CH3:4])[OH:129])[C@H:102]([C@@H:90]([C@@H:78]([CH2:61][OH:122])[OH:137])[OH:140])[O:164]5)[C@@H:92]([OH:142])[C@@H:80]([CH2:63][OH:124])[O:156]4)[C@@H:91]([OH:141])[C@@H:79]([CH2:62][OH:123])[O:155]3)[C@@H:83]([CH2:66][OH:127])[O:158]2)[C@@H:82]([CH2:65][OH:126])[O:157]1)[C@@H:73](/[CH:55]=[CH:53]/[CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH3:2])[OH:132])[OH:138] |
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