| Properties | Image |
|---|
| MNX_ID | MNXM1059223 |
 |
| reference | slm:000751803 |
| formula | C96H167N3O39 |
| global charge | 0 |
| mol weight | 1987.374 |
| InChIKey | RZSGLJRLZBKYBO-KHYCWZEGSA-N |
| InChI | InChI=1S/C96H167N3O39/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-47-67(109)99-58(70(110)59(108)46-44-42-40-38-36-18-16-14-12-10-8-6-2)54-125-92-82(122)78(118)86(64(52-104)131-92)135-95-83(123)79(119)87(65(53-105)132-95)136-96-84(124)89(73(113)62(50-102)129-96)138-91-69(98-57(4)107)88(137-94-81(121)77(117)72(112)61(49-101)128-94)74(114)66(133-91)55-126-90-68(97-56(3)106)75(115)85(63(51-103)130-90)134-93-80(120)76(116)71(111)60(48-100)127-93/h13,15,19-20,22-23,25-26,28-29,58-66,68-96,100-105,108,110-124H,5-12,14,16-18,21,24,27,30-55H2,1-4H3,(H,97,106)(H,98,107)(H,99,109)/b15-13-,20-19-,23-22-,26-25-,29-28-/t58-,59+,60+,61+,62+,63+,64+,65+,66+,68+,69+,70-,71-,72-,73-,74-,75+,76-,77-,78+,79+,80+,81+,82+,83+,84+,85+,86+,87-,88+,89-,90+,91-,92+,93-,94-,95-,96+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=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]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[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)[C@H](O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C96H167N3O39/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-47-67(109)99-58(70(110)59(108)46-44-42-40-38-36-18-16-14-12-10-8-6-2)54-125-92-82(122)78(118)86(64(52-104)131-92)135-95-83(123)79(119)87(65(53-105)132-95)136-96-84(124)89(73(113)62(50-102)129-96)138-91-69(98-57(4)107)88(137-94-81(121)77(117)72(112)61(49-101)128-94)74(114)66(133-91)55-126-90-68(97-56(3)106)75(115)85(63(51-103)130-90)134-93-80(120)76(116)71(111)60(48-100)127-93/h13,15,19-20,22-23,25-26,28-29,58-66,68-96,100-105,108,110-124H,5-12,14,16-18,21,24,27,30-55H2,1-4H3,(H,97,106)(H,98,107)(H,99,109)/b15-13-,20-19-,23-22-,26-25-,29-28-/t58-,59+,60+,61+,62+,63+,64+,65+,66+,68+,69+,70-,71-,72-,73-,74-,75+,76-,77-,78+,79+,80+,81+,82+,83+,84+,85+,86+,87-,88+,89-,90+,91-,92+,93-,94-,95-,96+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][C:67](=[N:99][C@@H:58]([CH2:54][O:125][C@H:92]1[C@H:82]([OH:122])[C@@H:78]([OH:118])[C@H:86]([O:135][C@H:95]2[C@H:83]([OH:123])[C@@H:79]([OH:119])[C@@H:87]([O:136][C@@H:96]3[C@H:84]([OH:124])[C@@H:89]([O:138][C@H:91]4[C@H:69]([N:98]=[C:57]([CH3:4])[OH:107])[C@@H:88]([O:137][C@H:94]5[C@H:81]([OH:121])[C@@H:77]([OH:117])[C@@H:72]([OH:112])[C@@H:61]([CH2:49][OH:101])[O:128]5)[C@@H:74]([OH:114])[C@@H:66]([CH2:55][O:126][C@H:90]5[C@H:68]([N:97]=[C:56]([CH3:3])[OH:106])[C@@H:75]([OH:115])[C@H:85]([O:134][C@H:93]6[C@H:80]([OH:120])[C@@H:76]([OH:116])[C@@H:71]([OH:111])[C@@H:60]([CH2:48][OH:100])[O:127]6)[C@@H:63]([CH2:51][OH:103])[O:130]5)[O:133]4)[C@@H:73]([OH:113])[C@@H:62]([CH2:50][OH:102])[O:129]3)[C@@H:65]([CH2:53][OH:105])[O:132]2)[C@@H:64]([CH2:52][OH:104])[O:131]1)[C@@H:70]([C@@H:59]([CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:108])[OH:110])[OH:109] |
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