| Properties | Image |
|---|
| MNX_ID | MNXM522984 |
 |
| reference | slm:000487683 |
| formula | C96H162N4O34 |
| global charge | -2 |
| mol weight | 1916.346 |
| InChIKey | FRSAVAOKPHGWLO-OXPZPWTGSA-L |
| InChI | InChI=1S/C96H164N4O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-51-53-74(113)100-65(66(109)52-50-48-46-44-42-40-19-17-15-13-11-9-7-2)61-125-91-83(119)82(118)85(72(59-104)127-91)129-92-84(120)89(86(73(60-105)128-92)130-90-77(99-64(5)108)81(117)79(115)70(57-102)126-90)134-96(94(123)124)55-68(111)76(98-63(4)107)88(133-96)80(116)71(58-103)131-95(93(121)122)54-67(110)75(97-62(3)106)87(132-95)78(114)69(112)56-101/h8,10,14,16,20-21,23-24,26-27,50,52,65-73,75-92,101-105,109-112,114-120H,6-7,9,11-13,15,17-19,22,25,28-49,51,53-61H2,1-5H3,(H,97,106)(H,98,107)(H,99,108)(H,100,113)(H,121,122)(H,123,124)/p-2/b10-8-,16-14-,21-20-,24-23-,27-26-,52-50+/t65-,66+,67-,68-,69+,70+,71+,72+,73+,75+,76+,77+,78+,79-,80+,81+,82+,83+,84+,85+,86-,87+,88+,89+,90-,91+,92-,95+,96-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=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]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/C96H164N4O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-51-53-74(113)100-65(66(109)52-50-48-46-44-42-40-19-17-15-13-11-9-7-2)61-125-91-83(119)82(118)85(72(59-104)127-91)129-92-84(120)89(86(73(60-105)128-92)130-90-77(99-64(5)108)81(117)79(115)70(57-102)126-90)134-96(94(123)124)55-68(111)76(98-63(4)107)88(133-96)80(116)71(58-103)131-95(93(121)122)54-67(110)75(97-62(3)106)87(132-95)78(114)69(112)56-101/h8,10,14,16,20-21,23-24,26-27,50,52,65-73,75-92,101-105,109-112,114-120H,6-7,9,11-13,15,17-19,22,25,28-49,51,53-61H2,1-5H3,(H,97,106)(H,98,107)(H,99,108)(H,100,113)(H,121,122)(H,123,124)/b10-8-,16-14-,21-20-,24-23-,27-26-,52-50+/t65-,66+,67-,68-,69+,70+,71+,72+,73+,75+,76+,77+,78+,79-,80+,81+,82+,83+,84+,85+,86-,87+,88+,89+,90-,91+,92-,95+,96-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6]/[CH:8]=[CH: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][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][C:74](=[N:100][C@@H:65]([CH2:61][O:125][C@H:91]1[C@H:83]([OH:119])[C@@H:82]([OH:118])[C@H:85]([O:129][C@H:92]2[C@H:84]([OH:120])[C@@H:89]([O:134][C@:96]3([C:94](=[O:123])[OH:124])[CH2:55][C@H:68]([OH:111])[C@@H:76]([N:98]=[C:63]([CH3:4])[OH:107])[C@H:88]([C@@H:80]([C@@H:71]([CH2:58][OH:103])[O:131][C@:95]4([C:93](=[O:121])[OH:122])[CH2:54][C@H:67]([OH:110])[C@@H:75]([N:97]=[C:62]([CH3:3])[OH:106])[C@H:87]([C@@H:78]([C@@H:69]([CH2:56][OH:101])[OH:112])[OH:114])[O:132]4)[OH:116])[O:133]3)[C@@H:86]([O:130][C@H:90]3[C@H:77]([N:99]=[C:64]([CH3:5])[OH:108])[C@@H:81]([OH:117])[C@@H:79]([OH:115])[C@@H:70]([CH2:57][OH:102])[O:126]3)[C@@H:73]([CH2:60][OH:105])[O:128]2)[C@@H:72]([CH2:59][OH:104])[O:127]1)[C@@H:66](/[CH:52]=[CH:50]/[CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:109])[OH:113] |
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