| Properties | Image |
|---|
| MNX_ID | MNXM1064606 |
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| reference | slm:000757270 |
| formula | C86H146N2O37 |
| global charge | 0 |
| mol weight | 1800.091 |
| InChIKey | NULXOYQHYFZDJE-QRLYNOEKSA-N |
| InChI | InChI=1S/C86H146N2O37/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-58(97)88-50(51(96)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)47-112-81-71(109)68(106)74(57(46-94)119-81)120-84-73(111)77(64(102)55(44-92)116-84)123-85-72(110)76(63(101)54(43-91)117-85)122-80-59(87-49(4)95)75(62(100)53(42-90)114-80)121-86-79(125-82-69(107)66(104)60(98)48(3)113-82)78(65(103)56(45-93)118-86)124-83-70(108)67(105)61(99)52(41-89)115-83/h7,9,13,15,19-20,22-23,25-26,37,39,48,50-57,59-86,89-94,96,98-111H,5-6,8,10-12,14,16-18,21,24,27-36,38,40-47H2,1-4H3,(H,87,95)(H,88,97)/b9-7-,15-13-,20-19-,23-22-,26-25-,39-37+/t48-,50-,51+,52+,53+,54+,55+,56+,57+,59+,60+,61-,62-,63-,64-,65-,66+,67-,68+,69-,70+,71+,72+,73+,74+,75+,76-,77-,78-,79+,80-,81+,82-,83+,84-,85+,86-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=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](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]5O[C@H](CO)[C@H](O)[C@H](O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C86H146N2O37/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-58(97)88-50(51(96)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)47-112-81-71(109)68(106)74(57(46-94)119-81)120-84-73(111)77(64(102)55(44-92)116-84)123-85-72(110)76(63(101)54(43-91)117-85)122-80-59(87-49(4)95)75(62(100)53(42-90)114-80)121-86-79(125-82-69(107)66(104)60(98)48(3)113-82)78(65(103)56(45-93)118-86)124-83-70(108)67(105)61(99)52(41-89)115-83/h7,9,13,15,19-20,22-23,25-26,37,39,48,50-57,59-86,89-94,96,98-111H,5-6,8,10-12,14,16-18,21,24,27-36,38,40-47H2,1-4H3,(H,87,95)(H,88,97)/b9-7-,15-13-,20-19-,23-22-,26-25-,39-37+/t48-,50-,51+,52+,53+,54+,55+,56+,57+,59+,60+,61-,62-,63-,64-,65-,66+,67-,68+,69-,70+,71+,72+,73+,74+,75+,76-,77-,78-,79+,80-,81+,82-,83+,84-,85+,86-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5]/[CH:7]=[CH: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]\[CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:58](=[N:88][C@@H:50]([CH2:47][O:112][C@H:81]1[C@H:71]([OH:109])[C@@H:68]([OH:106])[C@H:74]([O:120][C@H:84]2[C@H:73]([OH:111])[C@@H:77]([O:123][C@@H:85]3[C@H:72]([OH:110])[C@@H:76]([O:122][C@H:80]4[C@H:59]([N:87]=[C:49]([CH3:4])[OH:95])[C@@H:75]([O:121][C@H:86]5[C@H:79]([O:125][C@H:82]6[C@@H:69]([OH:107])[C@H:66]([OH:104])[C@H:60]([OH:98])[C@H:48]([CH3:3])[O:113]6)[C@@H:78]([O:124][C@@H:83]6[C@H:70]([OH:108])[C@@H:67]([OH:105])[C@@H:61]([OH:99])[C@@H:52]([CH2:41][OH:89])[O:115]6)[C@@H:65]([OH:103])[C@@H:56]([CH2:45][OH:93])[O:118]5)[C@@H:62]([OH:100])[C@@H:53]([CH2:42][OH:90])[O:114]4)[C@@H:63]([OH:101])[C@@H:54]([CH2:43][OH:91])[O:117]3)[C@@H:64]([OH:102])[C@@H:55]([CH2:44][OH:92])[O:116]2)[C@@H:57]([CH2:46][OH:94])[O:119]1)[C@@H:51](/[CH:39]=[CH:37]/[CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:96])[OH:97] |
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