| Properties | Image |
|---|
| MNX_ID | MNXM523190 |
 |
| reference | slm:000487036 |
| formula | C88H149N3O29 |
| global charge | -2 |
| mol weight | 1713.152 |
| InChIKey | NAXXTMJVSXXGLR-NAQQVKFQSA-L |
| InChI | InChI=1S/C88H151N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-70(102)91-62(63(98)51-49-47-45-43-41-39-18-16-14-12-10-8-6-2)59-113-83-77(107)76(106)79(69(58-95)115-83)116-84-78(108)82(74(104)67(56-93)114-84)120-88(86(111)112)54-65(100)72(90-61(4)97)81(119-88)75(105)68(57-94)117-87(85(109)110)53-64(99)71(89-60(3)96)80(118-87)73(103)66(101)55-92/h7,9,13,15,19-20,22-23,25-26,49,51,62-69,71-84,92-95,98-101,103-108H,5-6,8,10-12,14,16-18,21,24,27-48,50,52-59H2,1-4H3,(H,89,96)(H,90,97)(H,91,102)(H,109,110)(H,111,112)/p-2/b9-7-,15-13-,20-19-,23-22-,26-25-,51-49+/t62-,63+,64-,65-,66+,67+,68+,69+,71+,72+,73+,74-,75+,76+,77+,78+,79+,80+,81+,82-,83+,84-,87+,88-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=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@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C88H151N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-70(102)91-62(63(98)51-49-47-45-43-41-39-18-16-14-12-10-8-6-2)59-113-83-77(107)76(106)79(69(58-95)115-83)116-84-78(108)82(74(104)67(56-93)114-84)120-88(86(111)112)54-65(100)72(90-61(4)97)81(119-88)75(105)68(57-94)117-87(85(109)110)53-64(99)71(89-60(3)96)80(118-87)73(103)66(101)55-92/h7,9,13,15,19-20,22-23,25-26,49,51,62-69,71-84,92-95,98-101,103-108H,5-6,8,10-12,14,16-18,21,24,27-48,50,52-59H2,1-4H3,(H,89,96)(H,90,97)(H,91,102)(H,109,110)(H,111,112)/b9-7-,15-13-,20-19-,23-22-,26-25-,51-49+/t62-,63+,64-,65-,66+,67+,68+,69+,71+,72+,73+,74-,75+,76+,77+,78+,79+,80+,81+,82-,83+,84-,87+,88-/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]\[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][C:70](=[N:91][C@@H:62]([CH2:59][O:113][C@H:83]1[C@H:77]([OH:107])[C@@H:76]([OH:106])[C@H:79]([O:116][C@H:84]2[C@H:78]([OH:108])[C@@H:82]([O:120][C@:88]3([C:86](=[O:111])[OH:112])[CH2:54][C@H:65]([OH:100])[C@@H:72]([N:90]=[C:61]([CH3:4])[OH:97])[C@H:81]([C@@H:75]([C@@H:68]([CH2:57][OH:94])[O:117][C@:87]4([C:85](=[O:109])[OH:110])[CH2:53][C@H:64]([OH:99])[C@@H:71]([N:89]=[C:60]([CH3:3])[OH:96])[C@H:80]([C@@H:73]([C@@H:66]([CH2:55][OH:92])[OH:101])[OH:103])[O:118]4)[OH:105])[O:119]3)[C@@H:74]([OH:104])[C@@H:67]([CH2:56][OH:93])[O:114]2)[C@@H:69]([CH2:58][OH:95])[O:115]1)[C@@H:63](/[CH:51]=[CH:49]/[CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:98])[OH:102] |
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