| Properties | Image |
|---|
| MNX_ID | MNXM1056997 |
 |
| reference | slm:000749545 |
| formula | C98H162N4O44 |
| global charge | -2 |
| mol weight | 2100.358 |
| InChIKey | AXKPKOFRIZSBKV-VTDBFSIRSA-L |
| InChI | InChI=1S/C98H164N4O44/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-68(117)102-57(58(112)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)52-133-91-79(125)77(123)83(65(50-107)137-91)140-92-80(126)78(124)84(66(51-108)138-92)141-93-81(127)88(75(121)64(49-106)136-93)143-90-71(101-56(5)111)85(74(120)63(48-105)135-90)142-94-82(128)89(146-98(96(131)132)45-60(114)70(100-55(4)110)87(145-98)73(119)62(116)47-104)76(122)67(139-94)53-134-97(95(129)130)44-59(113)69(99-54(3)109)86(144-97)72(118)61(115)46-103/h8,10,14,16,20-21,23-24,26-27,29,31,57-67,69-94,103-108,112-116,118-128H,6-7,9,11-13,15,17-19,22,25,28,30,32-53H2,1-5H3,(H,99,109)(H,100,110)(H,101,111)(H,102,117)(H,129,130)(H,131,132)/p-2/b10-8-,16-14-,21-20-,24-23-,27-26-,31-29-/t57-,58+,59-,60-,61+,62+,63+,64+,65+,66+,67+,69+,70+,71+,72+,73+,74-,75-,76-,77+,78+,79+,80+,81+,82+,83+,84-,85+,86+,87+,88-,89-,90-,91+,92-,93+,94-,97+,98-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=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@]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](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)[C@H](O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C98H164N4O44/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-68(117)102-57(58(112)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)52-133-91-79(125)77(123)83(65(50-107)137-91)140-92-80(126)78(124)84(66(51-108)138-92)141-93-81(127)88(75(121)64(49-106)136-93)143-90-71(101-56(5)111)85(74(120)63(48-105)135-90)142-94-82(128)89(146-98(96(131)132)45-60(114)70(100-55(4)110)87(145-98)73(119)62(116)47-104)76(122)67(139-94)53-134-97(95(129)130)44-59(113)69(99-54(3)109)86(144-97)72(118)61(115)46-103/h8,10,14,16,20-21,23-24,26-27,29,31,57-67,69-94,103-108,112-116,118-128H,6-7,9,11-13,15,17-19,22,25,28,30,32-53H2,1-5H3,(H,99,109)(H,100,110)(H,101,111)(H,102,117)(H,129,130)(H,131,132)/b10-8-,16-14-,21-20-,24-23-,27-26-,31-29-/t57-,58+,59-,60-,61+,62+,63+,64+,65+,66+,67+,69+,70+,71+,72+,73+,74-,75-,76-,77+,78+,79+,80+,81+,82+,83+,84-,85+,86+,87+,88-,89-,90-,91+,92-,93+,94-,97+,98-/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:26]=[CH:27]\[CH2:28]/[CH:29]=[CH:31]\[CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][C:68](=[N:102][C@@H:57]([CH2:52][O:133][C@H:91]1[C@H:79]([OH:125])[C@@H:77]([OH:123])[C@H:83]([O:140][C@H:92]2[C@H:80]([OH:126])[C@@H:78]([OH:124])[C@@H:84]([O:141][C@@H:93]3[C@H:81]([OH:127])[C@@H:88]([O:143][C@H:90]4[C@H:71]([N:101]=[C:56]([CH3:5])[OH:111])[C@@H:85]([O:142][C@H:94]5[C@H:82]([OH:128])[C@@H:89]([O:146][C@:98]6([C:96](=[O:131])[OH:132])[CH2:45][C@H:60]([OH:114])[C@@H:70]([N:100]=[C:55]([CH3:4])[OH:110])[C@H:87]([C@@H:73]([C@@H:62]([CH2:47][OH:104])[OH:116])[OH:119])[O:145]6)[C@@H:76]([OH:122])[C@@H:67]([CH2:53][O:134][C@:97]6([C:95](=[O:129])[OH:130])[CH2:44][C@H:59]([OH:113])[C@@H:69]([N:99]=[C:54]([CH3:3])[OH:109])[C@H:86]([C@@H:72]([C@@H:61]([CH2:46][OH:103])[OH:115])[OH:118])[O:144]6)[O:139]5)[C@@H:74]([OH:120])[C@@H:63]([CH2:48][OH:105])[O:135]4)[C@@H:75]([OH:121])[C@@H:64]([CH2:49][OH:106])[O:136]3)[C@@H:66]([CH2:51][OH:108])[O:138]2)[C@@H:65]([CH2:50][OH:107])[O:137]1)[C@@H:58]([CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:112])[OH:117] |
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