| Properties | Image |
|---|
| MNX_ID | MNXM523397 |
 |
| reference | slm:000487209 |
| formula | C93H162N3O31 |
| global charge | -1 |
| mol weight | 1818.309 |
| InChIKey | TYKXYJMRQOCMNZ-UXVNZADJSA-M |
| InChI | InChI=1S/C93H163N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-50-52-54-72(107)96-64(65(104)53-51-49-47-45-43-41-18-16-14-12-10-8-6-2)61-118-89-81(114)79(112)83(70(59-100)121-89)123-91-82(115)87(127-93(92(116)117)55-66(105)73(94-62(3)102)86(126-93)75(108)67(106)56-97)84(71(60-101)122-91)124-88-74(95-63(4)103)85(77(110)69(58-99)119-88)125-90-80(113)78(111)76(109)68(57-98)120-90/h13,15,19-20,22-23,25-26,51,53,64-71,73-91,97-101,104-106,108-115H,5-12,14,16-18,21,24,27-50,52,54-61H2,1-4H3,(H,94,102)(H,95,103)(H,96,107)(H,116,117)/p-1/b15-13-,20-19-,23-22-,26-25-,53-51+/t64-,65+,66-,67+,68+,69+,70+,71+,73+,74+,75+,76-,77-,78-,79+,80+,81+,82+,83+,84-,85+,86+,87+,88-,89+,90-,91-,93-/m0/s1 |
| SMILES | CCCCC/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@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/C93H163N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-50-52-54-72(107)96-64(65(104)53-51-49-47-45-43-41-18-16-14-12-10-8-6-2)61-118-89-81(114)79(112)83(70(59-100)121-89)123-91-82(115)87(127-93(92(116)117)55-66(105)73(94-62(3)102)86(126-93)75(108)67(106)56-97)84(71(60-101)122-91)124-88-74(95-63(4)103)85(77(110)69(58-99)119-88)125-90-80(113)78(111)76(109)68(57-98)120-90/h13,15,19-20,22-23,25-26,51,53,64-71,73-91,97-101,104-106,108-115H,5-12,14,16-18,21,24,27-50,52,54-61H2,1-4H3,(H,94,102)(H,95,103)(H,96,107)(H,116,117)/b15-13-,20-19-,23-22-,26-25-,53-51+/t64-,65+,66-,67+,68+,69+,70+,71+,73+,74+,75+,76-,77-,78-,79+,80+,81+,82+,83+,84-,85+,86+,87+,88-,89+,90-,91-,93-/m0/s1 |
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| 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][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][C:72](=[N:96][C@@H:64]([CH2:61][O:118][C@H:89]1[C@H:81]([OH:114])[C@@H:79]([OH:112])[C@H:83]([O:123][C@H:91]2[C@H:82]([OH:115])[C@@H:87]([O:127][C@:93]3([C:92](=[O:116])[OH:117])[CH2:55][C@H:66]([OH:105])[C@@H:73]([N:94]=[C:62]([CH3:3])[OH:102])[C@H:86]([C@@H:75]([C@@H:67]([CH2:56][OH:97])[OH:106])[OH:108])[O:126]3)[C@@H:84]([O:124][C@H:88]3[C@H:74]([N:95]=[C:63]([CH3:4])[OH:103])[C@@H:85]([O:125][C@H:90]4[C@H:80]([OH:113])[C@@H:78]([OH:111])[C@@H:76]([OH:109])[C@@H:68]([CH2:57][OH:98])[O:120]4)[C@@H:77]([OH:110])[C@@H:69]([CH2:58][OH:99])[O:119]3)[C@@H:71]([CH2:60][OH:101])[O:122]2)[C@@H:70]([CH2:59][OH:100])[O:121]1)[C@@H:65](/[CH:53]=[CH:51]/[CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:104])[OH:107] |
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