| Properties | Image |
|---|
| MNX_ID | MNXM525390 |
 |
| reference | slm:000487345 |
| formula | C90H152N5O47 |
| global charge | -3 |
| mol weight | 2056.194 |
| InChIKey | LMPYFICPQOJITF-DUHWHICFSA-K |
| InChI | InChI=1S/C90H155N5O47/c1-8-9-10-11-12-13-14-15-16-17-20-23-26-29-48(107)47(95-59(112)30-27-24-21-18-19-22-25-28-42(2)3)41-129-82-72(121)70(119)74(57(39-101)132-82)134-84-73(122)80(75(58(40-102)133-84)135-81-63(94-46(7)106)76(66(115)54(36-98)130-81)136-83-71(120)69(118)65(114)53(35-97)131-83)142-90(87(127)128)33-51(110)62(93-45(6)105)79(141-90)68(117)56(38-100)138-89(86(125)126)32-50(109)61(92-44(5)104)78(140-89)67(116)55(37-99)137-88(85(123)124)31-49(108)60(91-43(4)103)77(139-88)64(113)52(111)34-96/h26,29,42,47-58,60-84,96-102,107-111,113-122H,8-25,27-28,30-41H2,1-7H3,(H,91,103)(H,92,104)(H,93,105)(H,94,106)(H,95,112)(H,123,124)(H,125,126)(H,127,128)/p-3/b29-26+/t47-,48+,49-,50-,51-,52+,53+,54+,55+,56+,57+,58+,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-,88+,89+,90-/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@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](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)NC(=O)CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C90H155N5O47/c1-8-9-10-11-12-13-14-15-16-17-20-23-26-29-48(107)47(95-59(112)30-27-24-21-18-19-22-25-28-42(2)3)41-129-82-72(121)70(119)74(57(39-101)132-82)134-84-73(122)80(75(58(40-102)133-84)135-81-63(94-46(7)106)76(66(115)54(36-98)130-81)136-83-71(120)69(118)65(114)53(35-97)131-83)142-90(87(127)128)33-51(110)62(93-45(6)105)79(141-90)68(117)56(38-100)138-89(86(125)126)32-50(109)61(92-44(5)104)78(140-89)67(116)55(37-99)137-88(85(123)124)31-49(108)60(91-43(4)103)77(139-88)64(113)52(111)34-96/h26,29,42,47-58,60-84,96-102,107-111,113-122H,8-25,27-28,30-41H2,1-7H3,(H,91,103)(H,92,104)(H,93,105)(H,94,106)(H,95,112)(H,123,124)(H,125,126)(H,127,128)/b29-26+/t47-,48+,49-,50-,51-,52+,53+,54+,55+,56+,57+,58+,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-,88+,89+,90-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:20][CH2:23]/[CH:26]=[CH:29]/[C@H:48]([C@H:47]([CH2:41][O:129][C@H:82]1[C@H:72]([OH:121])[C@@H:70]([OH:119])[C@H:74]([O:134][C@H:84]2[C@H:73]([OH:122])[C@@H:80]([O:142][C@:90]3([C:87](=[O:127])[OH:128])[CH2:33][C@H:51]([OH:110])[C@@H:62]([N:93]=[C:45]([CH3:6])[OH:105])[C@H:79]([C@@H:68]([C@@H:56]([CH2:38][OH:100])[O:138][C@:89]4([C:86](=[O:125])[OH:126])[CH2:32][C@H:50]([OH:109])[C@@H:61]([N:92]=[C:44]([CH3:5])[OH:104])[C@H:78]([C@@H:67]([C@@H:55]([CH2:37][OH:99])[O:137][C@:88]5([C:85](=[O:123])[OH:124])[CH2:31][C@H:49]([OH:108])[C@@H:60]([N:91]=[C:43]([CH3:4])[OH:103])[C@H:77]([C@@H:64]([C@@H:52]([CH2:34][OH:96])[OH:111])[OH:113])[O:139]5)[OH:116])[O:140]4)[OH:117])[O:141]3)[C@@H:75]([O:135][C@H:81]3[C@H:63]([N:94]=[C:46]([CH3:7])[OH:106])[C@@H:76]([O:136][C@H:83]4[C@H:71]([OH:120])[C@@H:69]([OH:118])[C@@H:65]([OH:114])[C@@H:53]([CH2:35][OH:97])[O:131]4)[C@@H:66]([OH:115])[C@@H:54]([CH2:36][OH:98])[O:130]3)[C@@H:58]([CH2:40][OH:102])[O:133]2)[C@@H:57]([CH2:39][OH:101])[O:132]1)[N:95]=[C:59]([CH2:30][CH2:27][CH2:24][CH2:21][CH2:18][CH2:19][CH2:22][CH2:25][CH2:28][CH:42]([CH3:2])[CH3:3])[OH:112])[OH:107] |
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