| Properties | Image |
|---|
| MNX_ID | MNXM152104 |
 |
| reference | chebi:84983 |
| formula | C89H158N4O39 |
| global charge | 0 |
| mol weight | 1908.232 |
| InChIKey | PYEFSQJYYAONNK-VIZLWDGASA-N |
| InChI | InChI=1S/C89H158N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-63(108)93-53(54(103)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2)49-121-83-72(114)71(113)75(61(47-98)124-83)126-85-74(116)81(132-89(87(119)120)42-56(105)65(91-51(4)101)79(130-89)68(110)58(107)44-95)76(62(48-99)125-85)127-82-66(92-52(5)102)77(69(111)59(45-96)122-82)128-84-73(115)80(70(112)60(46-97)123-84)131-88(86(117)118)41-55(104)64(90-50(3)100)78(129-88)67(109)57(106)43-94/h37,39,53-62,64-85,94-99,103-107,109-116H,6-36,38,40-49H2,1-5H3,(H,90,100)(H,91,101)(H,92,102)(H,93,108)(H,117,118)(H,119,120)/b39-37+/t53-,54+,55-,56-,57+,58+,59+,60+,61+,62+,64+,65+,66+,67+,68+,69-,70-,71+,72+,73+,74+,75+,76-,77+,78+,79+,80-,81+,82-,83+,84-,85-,88-,89-/m0/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/[C@@H](O)[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@]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)NC(=O)CCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C89H158N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-63(108)93-53(54(103)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2)49-121-83-72(114)71(113)75(61(47-98)124-83)126-85-74(116)81(132-89(87(119)120)42-56(105)65(91-51(4)101)79(130-89)68(110)58(107)44-95)76(62(48-99)125-85)127-82-66(92-52(5)102)77(69(111)59(45-96)122-82)128-84-73(115)80(70(112)60(46-97)123-84)131-88(86(117)118)41-55(104)64(90-50(3)100)78(129-88)67(109)57(106)43-94/h37,39,53-62,64-85,94-99,103-107,109-116H,6-36,38,40-49H2,1-5H3,(H,90,100)(H,91,101)(H,92,102)(H,93,108)(H,117,118)(H,119,120)/b39-37+/t53-,54+,55-,56-,57+,58+,59+,60+,61+,62+,64+,65+,66+,67+,68+,69-,70-,71+,72+,73+,74+,75+,76-,77+,78+,79+,80-,81+,82-,83+,84-,85-,88-,89-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:63](=[N:93][C@@H:53]([CH2:49][O:121][C@H:83]1[C@H:72]([OH:114])[C@@H:71]([OH:113])[C@H:75]([O:126][C@H:85]2[C@H:74]([OH:116])[C@@H:81]([O:132][C@:89]3([C:87](=[O:119])[OH:120])[CH2:42][C@H:56]([OH:105])[C@@H:65]([N:91]=[C:51]([CH3:4])[OH:101])[C@H:79]([C@@H:68]([C@@H:58]([CH2:44][OH:95])[OH:107])[OH:110])[O:130]3)[C@@H:76]([O:127][C@H:82]3[C@H:66]([N:92]=[C:52]([CH3:5])[OH:102])[C@@H:77]([O:128][C@H:84]4[C@H:73]([OH:115])[C@@H:80]([O:131][C@:88]5([C:86](=[O:117])[OH:118])[CH2:41][C@H:55]([OH:104])[C@@H:64]([N:90]=[C:50]([CH3:3])[OH:100])[C@H:78]([C@@H:67]([C@@H:57]([CH2:43][OH:94])[OH:106])[OH:109])[O:129]5)[C@@H:70]([OH:112])[C@@H:60]([CH2:46][OH:97])[O:123]4)[C@@H:69]([OH:111])[C@@H:59]([CH2:45][OH:96])[O:122]3)[C@@H:62]([CH2:48][OH:99])[O:125]2)[C@@H:61]([CH2:47][OH:98])[O:124]1)[C@@H:54](/[CH:39]=[CH:37]/[CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:103])[OH:108] |
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