| Properties | Image |
|---|
| MNX_ID | MNXM525411 |
 |
| reference | slm:000487791 |
| formula | C89H146N5O42 |
| global charge | -3 |
| mol weight | 1958.14 |
| InChIKey | YFGZAOJUXDWIEF-ZLHRUCRESA-K |
| InChI | InChI=1S/C89H149N5O42/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-62(110)94-51(52(105)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)46-125-82-73(117)72(116)75(60(44-99)127-82)129-83-74(118)80(76(61(45-100)128-83)130-81-66(93-50(6)104)71(115)68(112)57(41-96)126-81)136-89(86(123)124)39-55(108)65(92-49(5)103)79(135-89)70(114)59(43-98)132-88(85(121)122)38-54(107)64(91-48(4)102)78(134-88)69(113)58(42-97)131-87(84(119)120)37-53(106)63(90-47(3)101)77(133-87)67(111)56(109)40-95/h9,11,15,17,21-22,33,35,51-61,63-83,95-100,105-109,111-118H,7-8,10,12-14,16,18-20,23-32,34,36-46H2,1-6H3,(H,90,101)(H,91,102)(H,92,103)(H,93,104)(H,94,110)(H,119,120)(H,121,122)(H,123,124)/p-3/b11-9-,17-15-,22-21-,35-33+/t51-,52+,53-,54-,55-,56+,57+,58+,59+,60+,61+,63+,64+,65+,66+,67+,68-,69+,70+,71+,72+,73+,74+,75+,76-,77+,78+,79+,80+,81-,82+,83-,87+,88+,89-/m0/s1 |
| SMILES | CC/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]3O[C@H](CO)[C@H](O)[C@H](O)[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](CO)O[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)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)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C89H149N5O42/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-62(110)94-51(52(105)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)46-125-82-73(117)72(116)75(60(44-99)127-82)129-83-74(118)80(76(61(45-100)128-83)130-81-66(93-50(6)104)71(115)68(112)57(41-96)126-81)136-89(86(123)124)39-55(108)65(92-49(5)103)79(135-89)70(114)59(43-98)132-88(85(121)122)38-54(107)64(91-48(4)102)78(134-88)69(113)58(42-97)131-87(84(119)120)37-53(106)63(90-47(3)101)77(133-87)67(111)56(109)40-95/h9,11,15,17,21-22,33,35,51-61,63-83,95-100,105-109,111-118H,7-8,10,12-14,16,18-20,23-32,34,36-46H2,1-6H3,(H,90,101)(H,91,102)(H,92,103)(H,93,104)(H,94,110)(H,119,120)(H,121,122)(H,123,124)/b11-9-,17-15-,22-21-,35-33+/t51-,52+,53-,54-,55-,56+,57+,58+,59+,60+,61+,63+,64+,65+,66+,67+,68-,69+,70+,71+,72+,73+,74+,75+,76-,77+,78+,79+,80+,81-,82+,83-,87+,88+,89-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:7]/[CH:9]=[CH:11]\[CH2:13]/[CH:15]=[CH:17]\[CH2:19]/[CH:21]=[CH:22]\[CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:62](=[N:94][C@@H:51]([CH2:46][O:125][C@H:82]1[C@H:73]([OH:117])[C@@H:72]([OH:116])[C@H:75]([O:129][C@H:83]2[C@H:74]([OH:118])[C@@H:80]([O:136][C@:89]3([C:86](=[O:123])[OH:124])[CH2:39][C@H:55]([OH:108])[C@@H:65]([N:92]=[C:49]([CH3:5])[OH:103])[C@H:79]([C@@H:70]([C@@H:59]([CH2:43][OH:98])[O:132][C@:88]4([C:85](=[O:121])[OH:122])[CH2:38][C@H:54]([OH:107])[C@@H:64]([N:91]=[C:48]([CH3:4])[OH:102])[C@H:78]([C@@H:69]([C@@H:58]([CH2:42][OH:97])[O:131][C@:87]5([C:84](=[O:119])[OH:120])[CH2:37][C@H:53]([OH:106])[C@@H:63]([N:90]=[C:47]([CH3:3])[OH:101])[C@H:77]([C@@H:67]([C@@H:56]([CH2:40][OH:95])[OH:109])[OH:111])[O:133]5)[OH:113])[O:134]4)[OH:114])[O:135]3)[C@@H:76]([O:130][C@H:81]3[C@H:66]([N:93]=[C:50]([CH3:6])[OH:104])[C@@H:71]([OH:115])[C@@H:68]([OH:112])[C@@H:57]([CH2:41][OH:96])[O:126]3)[C@@H:61]([CH2:45][OH:100])[O:128]2)[C@@H:60]([CH2:44][OH:99])[O:127]1)[C@@H:52](/[CH:35]=[CH:33]/[CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH3:2])[OH:105])[OH:110] |
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