| Properties | Image |
|---|
| MNX_ID | MNXM1058530 |
 |
| reference | slm:000751094 |
| formula | C96H169N3O37 |
| global charge | 0 |
| mol weight | 1957.392 |
| InChIKey | GFWURAWZFKPFGT-KDJROWPOSA-N |
| InChI | InChI=1S/C96H169N3O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-47-49-68(109)99-60(61(108)48-46-44-42-40-38-36-19-17-15-13-11-9-7-2)56-123-92-81(120)78(117)84(66(54-104)129-92)131-94-82(121)79(118)85(67(55-105)130-94)132-95-83(122)87(74(113)64(52-102)127-95)134-91-70(98-59(5)107)86(73(112)63(51-101)126-91)133-96-89(136-93-80(119)77(116)71(110)57(3)124-93)88(75(114)65(53-103)128-96)135-90-69(97-58(4)106)76(115)72(111)62(50-100)125-90/h14,16,20-21,23-24,26-27,57,60-67,69-96,100-105,108,110-122H,6-13,15,17-19,22,25,28-56H2,1-5H3,(H,97,106)(H,98,107)(H,99,109)/b16-14-,21-20-,24-23-,27-26-/t57-,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-,95+,96-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCC(=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@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[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/C96H169N3O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-47-49-68(109)99-60(61(108)48-46-44-42-40-38-36-19-17-15-13-11-9-7-2)56-123-92-81(120)78(117)84(66(54-104)129-92)131-94-82(121)79(118)85(67(55-105)130-94)132-95-83(122)87(74(113)64(52-102)127-95)134-91-70(98-59(5)107)86(73(112)63(51-101)126-91)133-96-89(136-93-80(119)77(116)71(110)57(3)124-93)88(75(114)65(53-103)128-96)135-90-69(97-58(4)106)76(115)72(111)62(50-100)125-90/h14,16,20-21,23-24,26-27,57,60-67,69-96,100-105,108,110-122H,6-13,15,17-19,22,25,28-56H2,1-5H3,(H,97,106)(H,98,107)(H,99,109)/b16-14-,21-20-,24-23-,27-26-/t57-,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-,95+,96-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][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][CH2:33][CH2:34][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][C:68](=[N:99][C@@H:60]([CH2:56][O:123][C@H:92]1[C@H:81]([OH:120])[C@@H:78]([OH:117])[C@H:84]([O:131][C@H:94]2[C@H:82]([OH:121])[C@@H:79]([OH:118])[C@@H:85]([O:132][C@@H:95]3[C@H:83]([OH:122])[C@@H:87]([O:134][C@H:91]4[C@H:70]([N:98]=[C:59]([CH3:5])[OH:107])[C@@H:86]([O:133][C@H:96]5[C@H:89]([O:136][C@H:93]6[C@@H:80]([OH:119])[C@H:77]([OH:116])[C@H:71]([OH:110])[C@H:57]([CH3:3])[O:124]6)[C@@H:88]([O:135][C@@H:90]6[C@H:69]([N:97]=[C:58]([CH3:4])[OH:106])[C@@H:76]([OH:115])[C@@H:72]([OH:111])[C@@H:62]([CH2:50][OH:100])[O:125]6)[C@@H:75]([OH:114])[C@@H:65]([CH2:53][OH:103])[O:128]5)[C@@H:73]([OH:112])[C@@H:63]([CH2:51][OH:101])[O:126]4)[C@@H:74]([OH:113])[C@@H:64]([CH2:52][OH:102])[O:127]3)[C@@H:67]([CH2:55][OH:105])[O:130]2)[C@@H:66]([CH2:54][OH:104])[O:129]1)[C@@H:61]([CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:108])[OH:109] |
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