| Properties | Image |
|---|
| MNX_ID | MNXM1057967 |
 |
| reference | slm:000750531 |
| formula | C96H169N3O34 |
| global charge | 0 |
| mol weight | 1909.395 |
| InChIKey | CMQTZYOOHMGCES-KKALYQOBSA-N |
| InChI | InChI=1S/C96H169N3O34/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-43-45-47-49-51-53-71(109)99-63(74(110)64(108)52-50-48-46-44-42-18-16-14-12-10-8-6-2)60-122-93-82(118)80(116)87(69(58-104)127-93)130-94-83(119)81(117)88(70(59-105)128-94)131-96-85(121)90(77(113)67(56-102)125-96)133-92-73(98-62(4)107)79(115)86(68(57-103)126-92)129-95-84(120)89(76(112)66(55-101)124-95)132-91-72(97-61(3)106)78(114)75(111)65(54-100)123-91/h13,15,19-20,22-23,25-26,28-29,63-70,72-96,100-105,108,110-121H,5-12,14,16-18,21,24,27,30-60H2,1-4H3,(H,97,106)(H,98,107)(H,99,109)/b15-13-,20-19-,23-22-,26-25-,29-28-/t63-,64+,65+,66+,67+,68+,69+,70+,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\CCCCCCCCCCCCCCCCCCC(=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]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O)[C@H](O)[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/C96H169N3O34/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-43-45-47-49-51-53-71(109)99-63(74(110)64(108)52-50-48-46-44-42-18-16-14-12-10-8-6-2)60-122-93-82(118)80(116)87(69(58-104)127-93)130-94-83(119)81(117)88(70(59-105)128-94)131-96-85(121)90(77(113)67(56-102)125-96)133-92-73(98-62(4)107)79(115)86(68(57-103)126-92)129-95-84(120)89(76(112)66(55-101)124-95)132-91-72(97-61(3)106)78(114)75(111)65(54-100)123-91/h13,15,19-20,22-23,25-26,28-29,63-70,72-96,100-105,108,110-121H,5-12,14,16-18,21,24,27,30-60H2,1-4H3,(H,97,106)(H,98,107)(H,99,109)/b15-13-,20-19-,23-22-,26-25-,29-28-/t63-,64+,65+,66+,67+,68+,69+,70+,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][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][C:71](=[N:99][C@@H:63]([CH2:60][O:122][C@H:93]1[C@H:82]([OH:118])[C@@H:80]([OH:116])[C@H:87]([O:130][C@H:94]2[C@H:83]([OH:119])[C@@H:81]([OH:117])[C@@H:88]([O:131][C@@H:96]3[C@H:85]([OH:121])[C@@H:90]([O:133][C@H:92]4[C@H:73]([N:98]=[C:62]([CH3:4])[OH:107])[C@@H:79]([OH:115])[C@@H:86]([O:129][C@@H:95]5[C@H:84]([OH:120])[C@@H:89]([O:132][C@H:91]6[C@H:72]([N:97]=[C:61]([CH3:3])[OH:106])[C@@H:78]([OH:114])[C@@H:75]([OH:111])[C@@H:65]([CH2:54][OH:100])[O:123]6)[C@@H:76]([OH:112])[C@@H:66]([CH2:55][OH:101])[O:124]5)[C@@H:68]([CH2:57][OH:103])[O:126]4)[C@@H:77]([OH:113])[C@@H:67]([CH2:56][OH:102])[O:125]3)[C@@H:70]([CH2:59][OH:105])[O:128]2)[C@@H:69]([CH2:58][OH:104])[O:127]1)[C@@H:74]([C@@H:64]([CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][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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