| Properties | Image |
|---|
| MNX_ID | MNXM525128 |
 |
| reference | slm:000486692 |
| formula | C113H188N5O47 |
| global charge | -3 |
| mol weight | 2368.735 |
| InChIKey | FZDSXMWEFBWTDW-LISPCCRDSA-K |
| InChI | InChI=1S/C113H191N5O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-50-52-54-82(136)118-70(71(130)53-51-49-47-45-43-41-20-18-16-14-12-10-8-2)65-152-105-93(143)92(142)96(80(63-124)155-105)157-107-95(145)103(165-113(110(150)151)57-73(132)84(115-67(4)127)100(162-113)88(138)76(135)59-120)97(81(64-125)156-107)158-104-86(117-69(6)129)98(89(139)77(60-121)153-104)159-106-94(144)102(90(140)78(61-122)154-106)164-112(109(148)149)56-74(133)85(116-68(5)128)101(163-112)91(141)79(62-123)160-111(108(146)147)55-72(131)83(114-66(3)126)99(161-111)87(137)75(134)58-119/h15,17,21-22,24-25,27-28,30-31,51,53,70-81,83-107,119-125,130-135,137-145H,7-14,16,18-20,23,26,29,32-50,52,54-65H2,1-6H3,(H,114,126)(H,115,127)(H,116,128)(H,117,129)(H,118,136)(H,146,147)(H,148,149)(H,150,151)/p-3/b17-15-,22-21-,25-24-,28-27-,31-30-,53-51+/t70-,71+,72-,73-,74-,75+,76+,77+,78+,79+,80+,81+,83+,84+,85+,86+,87+,88+,89-,90-,91+,92+,93+,94+,95+,96+,97-,98+,99+,100+,101+,102-,103+,104-,105+,106-,107-,111+,112-,113-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=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](CO)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)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/C113H191N5O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-50-52-54-82(136)118-70(71(130)53-51-49-47-45-43-41-20-18-16-14-12-10-8-2)65-152-105-93(143)92(142)96(80(63-124)155-105)157-107-95(145)103(165-113(110(150)151)57-73(132)84(115-67(4)127)100(162-113)88(138)76(135)59-120)97(81(64-125)156-107)158-104-86(117-69(6)129)98(89(139)77(60-121)153-104)159-106-94(144)102(90(140)78(61-122)154-106)164-112(109(148)149)56-74(133)85(116-68(5)128)101(163-112)91(141)79(62-123)160-111(108(146)147)55-72(131)83(114-66(3)126)99(161-111)87(137)75(134)58-119/h15,17,21-22,24-25,27-28,30-31,51,53,70-81,83-107,119-125,130-135,137-145H,7-14,16,18-20,23,26,29,32-50,52,54-65H2,1-6H3,(H,114,126)(H,115,127)(H,116,128)(H,117,129)(H,118,136)(H,146,147)(H,148,149)(H,150,151)/b17-15-,22-21-,25-24-,28-27-,31-30-,53-51+/t70-,71+,72-,73-,74-,75+,76+,77+,78+,79+,80+,81+,83+,84+,85+,86+,87+,88+,89-,90-,91+,92+,93+,94+,95+,96+,97-,98+,99+,100+,101+,102-,103+,104-,105+,106-,107-,111+,112-,113-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:7][CH2:9][CH2:11][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][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][C:82](=[N:118][C@@H:70]([CH2:65][O:152][C@H:105]1[C@H:93]([OH:143])[C@@H:92]([OH:142])[C@H:96]([O:157][C@H:107]2[C@H:95]([OH:145])[C@@H:103]([O:165][C@:113]3([C:110](=[O:150])[OH:151])[CH2:57][C@H:73]([OH:132])[C@@H:84]([N:115]=[C:67]([CH3:4])[OH:127])[C@H:100]([C@@H:88]([C@@H:76]([CH2:59][OH:120])[OH:135])[OH:138])[O:162]3)[C@@H:97]([O:158][C@H:104]3[C@H:86]([N:117]=[C:69]([CH3:6])[OH:129])[C@@H:98]([O:159][C@H:106]4[C@H:94]([OH:144])[C@@H:102]([O:164][C@:112]5([C:109](=[O:148])[OH:149])[CH2:56][C@H:74]([OH:133])[C@@H:85]([N:116]=[C:68]([CH3:5])[OH:128])[C@H:101]([C@@H:91]([C@@H:79]([CH2:62][OH:123])[O:160][C@:111]6([C:108](=[O:146])[OH:147])[CH2:55][C@H:72]([OH:131])[C@@H:83]([N:114]=[C:66]([CH3:3])[OH:126])[C@H:99]([C@@H:87]([C@@H:75]([CH2:58][OH:119])[OH:134])[OH:137])[O:161]6)[OH:141])[O:163]5)[C@@H:90]([OH:140])[C@@H:78]([CH2:61][OH:122])[O:154]4)[C@@H:89]([OH:139])[C@@H:77]([CH2:60][OH:121])[O:153]3)[C@@H:81]([CH2:64][OH:125])[O:156]2)[C@@H:80]([CH2:63][OH:124])[O:155]1)[C@@H:71](/[CH:53]=[CH:51]/[CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH3:2])[OH:130])[OH:136] |
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