| Properties | Image |
|---|
| MNX_ID | MNXM523598 |
 |
| reference | slm:000486524 |
| formula | C89H154N3O31 |
| global charge | -1 |
| mol weight | 1762.201 |
| InChIKey | ZUHAFBUIGLUYAJ-ZCZBAIQPSA-M |
| InChI | InChI=1S/C89H155N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-68(103)92-60(61(100)49-47-45-43-41-39-37-18-16-14-12-10-8-6-2)57-114-85-76(109)74(107)80(66(55-96)117-85)120-86-77(110)75(108)79(67(56-97)118-86)119-84-70(91-59(4)99)81(72(105)64(53-94)115-84)121-87-78(111)83(73(106)65(54-95)116-87)123-89(88(112)113)51-62(101)69(90-58(3)98)82(122-89)71(104)63(102)52-93/h13,15,19-20,22-23,25-26,47,49,60-67,69-87,93-97,100-102,104-111H,5-12,14,16-18,21,24,27-46,48,50-57H2,1-4H3,(H,90,98)(H,91,99)(H,92,103)(H,112,113)/p-1/b15-13-,20-19-,23-22-,26-25-,49-47+/t60-,61+,62-,63+,64+,65+,66+,67+,69+,70+,71+,72-,73-,74+,75+,76+,77+,78+,79-,80+,81+,82+,83-,84-,85+,86-,87-,89-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCC(=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](O)CO)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C89H155N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-68(103)92-60(61(100)49-47-45-43-41-39-37-18-16-14-12-10-8-6-2)57-114-85-76(109)74(107)80(66(55-96)117-85)120-86-77(110)75(108)79(67(56-97)118-86)119-84-70(91-59(4)99)81(72(105)64(53-94)115-84)121-87-78(111)83(73(106)65(54-95)116-87)123-89(88(112)113)51-62(101)69(90-58(3)98)82(122-89)71(104)63(102)52-93/h13,15,19-20,22-23,25-26,47,49,60-67,69-87,93-97,100-102,104-111H,5-12,14,16-18,21,24,27-46,48,50-57H2,1-4H3,(H,90,98)(H,91,99)(H,92,103)(H,112,113)/b15-13-,20-19-,23-22-,26-25-,49-47+/t60-,61+,62-,63+,64+,65+,66+,67+,69+,70+,71+,72-,73-,74+,75+,76+,77+,78+,79-,80+,81+,82+,83-,84-,85+,86-,87-,89-/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][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][C:68](=[N:92][C@@H:60]([CH2:57][O:114][C@H:85]1[C@H:76]([OH:109])[C@@H:74]([OH:107])[C@H:80]([O:120][C@H:86]2[C@H:77]([OH:110])[C@@H:75]([OH:108])[C@@H:79]([O:119][C@H:84]3[C@H:70]([N:91]=[C:59]([CH3:4])[OH:99])[C@@H:81]([O:121][C@H:87]4[C@H:78]([OH:111])[C@@H:83]([O:123][C@:89]5([C:88](=[O:112])[OH:113])[CH2:51][C@H:62]([OH:101])[C@@H:69]([N:90]=[C:58]([CH3:3])[OH:98])[C@H:82]([C@@H:71]([C@@H:63]([CH2:52][OH:93])[OH:102])[OH:104])[O:122]5)[C@@H:73]([OH:106])[C@@H:65]([CH2:54][OH:95])[O:116]4)[C@@H:72]([OH:105])[C@@H:64]([CH2:53][OH:94])[O:115]3)[C@@H:67]([CH2:56][OH:97])[O:118]2)[C@@H:66]([CH2:55][OH:96])[O:117]1)[C@@H:61](/[CH:49]=[CH:47]/[CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:100])[OH:103] |
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