| Properties | Image |
|---|
| MNX_ID | MNXM1056886 |
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| reference | slm:000749434 |
| formula | C86H150N4O45 |
| global charge | -2 |
| mol weight | 1960.129 |
| InChIKey | MEKRAGIFWZCYRZ-LNTBCNHZSA-L |
| InChI | InChI=1S/C86H152N4O45/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-45(100)59(106)44(90-55(105)30-28-26-24-22-19-17-15-13-11-9-7-2)39-122-79-67(114)65(112)71(52(37-95)126-79)129-80-68(115)66(113)72(53(38-96)127-80)130-81-69(116)76(62(109)50(35-93)124-81)132-78-58(89-43(5)99)73(64(111)54(128-78)40-123-85(83(118)119)31-46(101)56(87-41(3)97)74(133-85)60(107)48(103)33-91)131-82-70(117)77(63(110)51(36-94)125-82)135-86(84(120)121)32-47(102)57(88-42(4)98)75(134-86)61(108)49(104)34-92/h44-54,56-82,91-96,100-104,106-117H,6-40H2,1-5H3,(H,87,97)(H,88,98)(H,89,99)(H,90,105)(H,118,119)(H,120,121)/p-2/t44-,45+,46-,47-,48+,49+,50+,51+,52+,53+,54+,56+,57+,58+,59-,60+,61+,62-,63-,64-,65+,66+,67+,68+,69+,70+,71+,72-,73+,74+,75+,76-,77-,78-,79+,80-,81+,82-,85+,86-/m0/s1 |
| SMILES | CCCCCCCCCCCCCC[C@@H](O)[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@]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](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@]6(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C86H152N4O45/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-45(100)59(106)44(90-55(105)30-28-26-24-22-19-17-15-13-11-9-7-2)39-122-79-67(114)65(112)71(52(37-95)126-79)129-80-68(115)66(113)72(53(38-96)127-80)130-81-69(116)76(62(109)50(35-93)124-81)132-78-58(89-43(5)99)73(64(111)54(128-78)40-123-85(83(118)119)31-46(101)56(87-41(3)97)74(133-85)60(107)48(103)33-91)131-82-70(117)77(63(110)51(36-94)125-82)135-86(84(120)121)32-47(102)57(88-42(4)98)75(134-86)61(108)49(104)34-92/h44-54,56-82,91-96,100-104,106-117H,6-40H2,1-5H3,(H,87,97)(H,88,98)(H,89,99)(H,90,105)(H,118,119)(H,120,121)/t44-,45+,46-,47-,48+,49+,50+,51+,52+,53+,54+,56+,57+,58+,59-,60+,61+,62-,63-,64-,65+,66+,67+,68+,69+,70+,71+,72-,73+,74+,75+,76-,77-,78-,79+,80-,81+,82-,85+,86-/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][CH2:23][CH2:25][CH2:27][CH2:29][C@H:45]([C@H:59]([C@H:44]([CH2:39][O:122][C@H:79]1[C@H:67]([OH:114])[C@@H:65]([OH:112])[C@H:71]([O:129][C@H:80]2[C@H:68]([OH:115])[C@@H:66]([OH:113])[C@@H:72]([O:130][C@@H:81]3[C@H:69]([OH:116])[C@@H:76]([O:132][C@H:78]4[C@H:58]([N:89]=[C:43]([CH3:5])[OH:99])[C@@H:73]([O:131][C@H:82]5[C@H:70]([OH:117])[C@@H:77]([O:135][C@:86]6([C:84](=[O:120])[OH:121])[CH2:32][C@H:47]([OH:102])[C@@H:57]([N:88]=[C:42]([CH3:4])[OH:98])[C@H:75]([C@@H:61]([C@@H:49]([CH2:34][OH:92])[OH:104])[OH:108])[O:134]6)[C@@H:63]([OH:110])[C@@H:51]([CH2:36][OH:94])[O:125]5)[C@@H:64]([OH:111])[C@@H:54]([CH2:40][O:123][C@:85]5([C:83](=[O:118])[OH:119])[CH2:31][C@H:46]([OH:101])[C@@H:56]([N:87]=[C:41]([CH3:3])[OH:97])[C@H:74]([C@@H:60]([C@@H:48]([CH2:33][OH:91])[OH:103])[OH:107])[O:133]5)[O:128]4)[C@@H:62]([OH:109])[C@@H:50]([CH2:35][OH:93])[O:124]3)[C@@H:53]([CH2:38][OH:96])[O:127]2)[C@@H:52]([CH2:37][OH:95])[O:126]1)[N:90]=[C:55]([CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:105])[OH:106])[OH:100] |
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