| Properties | Image |
|---|
| MNX_ID | MNXM1057406 |
 |
| reference | slm:000749962 |
| formula | C100H168N4O45 |
| global charge | -2 |
| mol weight | 2146.427 |
| InChIKey | OGBNZYUJLKRJKX-VJGIXHDASA-L |
| InChI | InChI=1S/C100H170N4O45/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-69(119)104-58(73(120)59(114)43-41-39-37-35-33-19-17-15-13-11-9-7-2)53-136-93-81(128)79(126)85(67(51-109)141-93)143-94-82(129)80(127)86(68(52-110)142-94)144-95-83(130)90(77(124)65(49-107)139-95)146-92-72(103-57(5)113)87(76(123)64(48-106)138-92)145-96-84(131)91(78(125)66(50-108)140-96)149-100(98(134)135)46-61(116)71(102-56(4)112)89(148-100)75(122)63(118)54-137-99(97(132)133)45-60(115)70(101-55(3)111)88(147-99)74(121)62(117)47-105/h8,10,14,16,20-21,23-24,26-27,58-68,70-96,105-110,114-118,120-131H,6-7,9,11-13,15,17-19,22,25,28-54H2,1-5H3,(H,101,111)(H,102,112)(H,103,113)(H,104,119)(H,132,133)(H,134,135)/p-2/b10-8-,16-14-,21-20-,24-23-,27-26-/t58-,59+,60-,61-,62+,63+,64+,65+,66+,67+,68+,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-,95+,96-,99+,100-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=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@H](O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C100H170N4O45/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-69(119)104-58(73(120)59(114)43-41-39-37-35-33-19-17-15-13-11-9-7-2)53-136-93-81(128)79(126)85(67(51-109)141-93)143-94-82(129)80(127)86(68(52-110)142-94)144-95-83(130)90(77(124)65(49-107)139-95)146-92-72(103-57(5)113)87(76(123)64(48-106)138-92)145-96-84(131)91(78(125)66(50-108)140-96)149-100(98(134)135)46-61(116)71(102-56(4)112)89(148-100)75(122)63(118)54-137-99(97(132)133)45-60(115)70(101-55(3)111)88(147-99)74(121)62(117)47-105/h8,10,14,16,20-21,23-24,26-27,58-68,70-96,105-110,114-118,120-131H,6-7,9,11-13,15,17-19,22,25,28-54H2,1-5H3,(H,101,111)(H,102,112)(H,103,113)(H,104,119)(H,132,133)(H,134,135)/b10-8-,16-14-,21-20-,24-23-,27-26-/t58-,59+,60-,61-,62+,63+,64+,65+,66+,67+,68+,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-,95+,96-,99+,100-/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][CH2:29][CH2:30][CH2:31][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][C:69](=[N:104][C@@H:58]([CH2:53][O:136][C@H:93]1[C@H:81]([OH:128])[C@@H:79]([OH:126])[C@H:85]([O:143][C@H:94]2[C@H:82]([OH:129])[C@@H:80]([OH:127])[C@@H:86]([O:144][C@@H:95]3[C@H:83]([OH:130])[C@@H:90]([O:146][C@H:92]4[C@H:72]([N:103]=[C:57]([CH3:5])[OH:113])[C@@H:87]([O:145][C@H:96]5[C@H:84]([OH:131])[C@@H:91]([O:149][C@:100]6([C:98](=[O:134])[OH:135])[CH2:46][C@H:61]([OH:116])[C@@H:71]([N:102]=[C:56]([CH3:4])[OH:112])[C@H:89]([C@@H:75]([C@@H:63]([CH2:54][O:137][C@:99]7([C:97](=[O:132])[OH:133])[CH2:45][C@H:60]([OH:115])[C@@H:70]([N:101]=[C:55]([CH3:3])[OH:111])[C@H:88]([C@@H:74]([C@@H:62]([CH2:47][OH:105])[OH:117])[OH:121])[O:147]7)[OH:118])[OH:122])[O:148]6)[C@@H:78]([OH:125])[C@@H:66]([CH2:50][OH:108])[O:140]5)[C@@H:76]([OH:123])[C@@H:64]([CH2:48][OH:106])[O:138]4)[C@@H:77]([OH:124])[C@@H:65]([CH2:49][OH:107])[O:139]3)[C@@H:68]([CH2:52][OH:110])[O:142]2)[C@@H:67]([CH2:51][OH:109])[O:141]1)[C@@H:73]([C@@H:59]([CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:114])[OH:120])[OH:119] |
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