| Properties | Image |
|---|
| MNX_ID | MNXM1057318 |
 |
| reference | slm:000749874 |
| formula | C94H154N4O44 |
| global charge | -2 |
| mol weight | 2044.25 |
| InChIKey | YBODZGGNNZXARY-RLUZGBFFSA-L |
| InChI | InChI=1S/C94H156N4O44/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-64(113)98-53(54(108)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)48-129-87-75(121)73(119)79(62(46-103)134-87)136-88-76(122)74(120)80(63(47-104)135-88)137-89-77(123)84(71(117)60(44-101)132-89)139-86-67(97-52(5)107)81(70(116)59(43-100)131-86)138-90-78(124)85(72(118)61(45-102)133-90)142-94(92(127)128)41-56(110)66(96-51(4)106)83(141-94)69(115)58(112)49-130-93(91(125)126)40-55(109)65(95-50(3)105)82(140-93)68(114)57(111)42-99/h8,10,14,16,20-21,23-24,27,29,36,38,53-63,65-90,99-104,108-112,114-124H,6-7,9,11-13,15,17-19,22,25-26,28,30-35,37,39-49H2,1-5H3,(H,95,105)(H,96,106)(H,97,107)(H,98,113)(H,125,126)(H,127,128)/p-2/b10-8-,16-14-,21-20-,24-23-,29-27-,38-36+/t53-,54+,55-,56-,57+,58+,59+,60+,61+,62+,63+,65+,66+,67+,68+,69+,70-,71-,72-,73+,74+,75+,76+,77+,78+,79+,80-,81+,82+,83+,84-,85-,86-,87+,88-,89+,90-,93+,94-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=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]4O[C@H](CO)[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[C@]7(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O7)O6)[C@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C94H156N4O44/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-64(113)98-53(54(108)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)48-129-87-75(121)73(119)79(62(46-103)134-87)136-88-76(122)74(120)80(63(47-104)135-88)137-89-77(123)84(71(117)60(44-101)132-89)139-86-67(97-52(5)107)81(70(116)59(43-100)131-86)138-90-78(124)85(72(118)61(45-102)133-90)142-94(92(127)128)41-56(110)66(96-51(4)106)83(141-94)69(115)58(112)49-130-93(91(125)126)40-55(109)65(95-50(3)105)82(140-93)68(114)57(111)42-99/h8,10,14,16,20-21,23-24,27,29,36,38,53-63,65-90,99-104,108-112,114-124H,6-7,9,11-13,15,17-19,22,25-26,28,30-35,37,39-49H2,1-5H3,(H,95,105)(H,96,106)(H,97,107)(H,98,113)(H,125,126)(H,127,128)/b10-8-,16-14-,21-20-,24-23-,29-27-,38-36+/t53-,54+,55-,56-,57+,58+,59+,60+,61+,62+,63+,65+,66+,67+,68+,69+,70-,71-,72-,73+,74+,75+,76+,77+,78+,79+,80-,81+,82+,83+,84-,85-,86-,87+,88-,89+,90-,93+,94-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6]/[CH:8]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:27]=[CH:29]\[CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:64](=[N:98][C@@H:53]([CH2:48][O:129][C@H:87]1[C@H:75]([OH:121])[C@@H:73]([OH:119])[C@H:79]([O:136][C@H:88]2[C@H:76]([OH:122])[C@@H:74]([OH:120])[C@@H:80]([O:137][C@@H:89]3[C@H:77]([OH:123])[C@@H:84]([O:139][C@H:86]4[C@H:67]([N:97]=[C:52]([CH3:5])[OH:107])[C@@H:81]([O:138][C@H:90]5[C@H:78]([OH:124])[C@@H:85]([O:142][C@:94]6([C:92](=[O:127])[OH:128])[CH2:41][C@H:56]([OH:110])[C@@H:66]([N:96]=[C:51]([CH3:4])[OH:106])[C@H:83]([C@@H:69]([C@@H:58]([CH2:49][O:130][C@:93]7([C:91](=[O:125])[OH:126])[CH2:40][C@H:55]([OH:109])[C@@H:65]([N:95]=[C:50]([CH3:3])[OH:105])[C@H:82]([C@@H:68]([C@@H:57]([CH2:42][OH:99])[OH:111])[OH:114])[O:140]7)[OH:112])[OH:115])[O:141]6)[C@@H:72]([OH:118])[C@@H:61]([CH2:45][OH:102])[O:133]5)[C@@H:70]([OH:116])[C@@H:59]([CH2:43][OH:100])[O:131]4)[C@@H:71]([OH:117])[C@@H:60]([CH2:44][OH:101])[O:132]3)[C@@H:63]([CH2:47][OH:104])[O:135]2)[C@@H:62]([CH2:46][OH:103])[O:134]1)[C@@H:54](/[CH:38]=[CH:36]/[CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:108])[OH:113] |
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