| Properties | Image |
|---|
| MNX_ID | MNXM525060 |
 |
| reference | slm:000486743 |
| formula | C91H154N5O47 |
| global charge | -3 |
| mol weight | 2070.221 |
| InChIKey | XRIOTVBAGXPHRT-CHKUFTIKSA-K |
| InChI | InChI=1S/C91H157N5O47/c1-7-9-11-13-15-17-19-20-22-23-25-27-29-31-49(108)48(96-60(114)32-30-28-26-24-21-18-16-14-12-10-8-2)43-130-83-71(121)70(120)74(58(41-102)133-83)135-85-73(123)81(143-91(88(128)129)35-51(110)62(93-45(4)105)78(140-91)66(116)54(113)37-98)75(59(42-103)134-85)136-82-64(95-47(6)107)76(67(117)55(38-99)131-82)137-84-72(122)80(68(118)56(39-100)132-84)142-90(87(126)127)34-52(111)63(94-46(5)106)79(141-90)69(119)57(40-101)138-89(86(124)125)33-50(109)61(92-44(3)104)77(139-89)65(115)53(112)36-97/h29,31,48-59,61-85,97-103,108-113,115-123H,7-28,30,32-43H2,1-6H3,(H,92,104)(H,93,105)(H,94,106)(H,95,107)(H,96,114)(H,124,125)(H,126,127)(H,128,129)/p-3/b31-29+/t48-,49+,50-,51-,52-,53+,54+,55+,56+,57+,58+,59+,61+,62+,63+,64+,65+,66+,67-,68-,69+,70+,71+,72+,73+,74+,75-,76+,77+,78+,79+,80-,81+,82-,83+,84-,85-,89+,90-,91-/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](CO)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)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)CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C91H157N5O47/c1-7-9-11-13-15-17-19-20-22-23-25-27-29-31-49(108)48(96-60(114)32-30-28-26-24-21-18-16-14-12-10-8-2)43-130-83-71(121)70(120)74(58(41-102)133-83)135-85-73(123)81(143-91(88(128)129)35-51(110)62(93-45(4)105)78(140-91)66(116)54(113)37-98)75(59(42-103)134-85)136-82-64(95-47(6)107)76(67(117)55(38-99)131-82)137-84-72(122)80(68(118)56(39-100)132-84)142-90(87(126)127)34-52(111)63(94-46(5)106)79(141-90)69(119)57(40-101)138-89(86(124)125)33-50(109)61(92-44(3)104)77(139-89)65(115)53(112)36-97/h29,31,48-59,61-85,97-103,108-113,115-123H,7-28,30,32-43H2,1-6H3,(H,92,104)(H,93,105)(H,94,106)(H,95,107)(H,96,114)(H,124,125)(H,126,127)(H,128,129)/b31-29+/t48-,49+,50-,51-,52-,53+,54+,55+,56+,57+,58+,59+,61+,62+,63+,64+,65+,66+,67-,68-,69+,70+,71+,72+,73+,74+,75-,76+,77+,78+,79+,80-,81+,82-,83+,84-,85-,89+,90-,91-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:22][CH2:23][CH2:25][CH2:27]/[CH:29]=[CH:31]/[C@H:49]([C@H:48]([CH2:43][O:130][C@H:83]1[C@H:71]([OH:121])[C@@H:70]([OH:120])[C@H:74]([O:135][C@H:85]2[C@H:73]([OH:123])[C@@H:81]([O:143][C@:91]3([C:88](=[O:128])[OH:129])[CH2:35][C@H:51]([OH:110])[C@@H:62]([N:93]=[C:45]([CH3:4])[OH:105])[C@H:78]([C@@H:66]([C@@H:54]([CH2:37][OH:98])[OH:113])[OH:116])[O:140]3)[C@@H:75]([O:136][C@H:82]3[C@H:64]([N:95]=[C:47]([CH3:6])[OH:107])[C@@H:76]([O:137][C@H:84]4[C@H:72]([OH:122])[C@@H:80]([O:142][C@:90]5([C:87](=[O:126])[OH:127])[CH2:34][C@H:52]([OH:111])[C@@H:63]([N:94]=[C:46]([CH3:5])[OH:106])[C@H:79]([C@@H:69]([C@@H:57]([CH2:40][OH:101])[O:138][C@:89]6([C:86](=[O:124])[OH:125])[CH2:33][C@H:50]([OH:109])[C@@H:61]([N:92]=[C:44]([CH3:3])[OH:104])[C@H:77]([C@@H:65]([C@@H:53]([CH2:36][OH:97])[OH:112])[OH:115])[O:139]6)[OH:119])[O:141]5)[C@@H:68]([OH:118])[C@@H:56]([CH2:39][OH:100])[O:132]4)[C@@H:67]([OH:117])[C@@H:55]([CH2:38][OH:99])[O:131]3)[C@@H:59]([CH2:42][OH:103])[O:134]2)[C@@H:58]([CH2:41][OH:102])[O:133]1)[N:96]=[C:60]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:21][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH3:2])[OH:114])[OH:108] |
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