| Properties | Image |
|---|
| MNX_ID | MNXM1064235 |
 |
| reference | slm:000756891 |
| formula | C87H156N3O37 |
| global charge | -1 |
| mol weight | 1836.189 |
| InChIKey | IAQBSPQNBDESEG-PFBIMCPXSA-M |
| InChI | InChI=1S/C87H157N3O37/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-61(102)90-52(64(103)53(99)40-38-36-34-32-30-18-16-14-12-10-8-6-2)49-116-82-71(110)70(109)75(60(48-96)121-82)122-83-73(112)79(68(107)58(46-94)118-83)125-84-72(111)78(67(106)57(45-93)119-84)124-81-63(89-51(4)98)76(66(105)56(44-92)117-81)123-85-74(113)80(69(108)59(47-95)120-85)127-87(86(114)115)42-54(100)62(88-50(3)97)77(126-87)65(104)55(101)43-91/h19-20,52-60,62-85,91-96,99-101,103-113H,5-18,21-49H2,1-4H3,(H,88,97)(H,89,98)(H,90,102)(H,114,115)/p-1/b20-19-/t52-,53+,54-,55+,56+,57+,58+,59+,60+,62+,63+,64-,65+,66-,67-,68-,69-,70+,71+,72+,73+,74+,75+,76+,77+,78-,79-,80-,81-,82+,83-,84+,85-,87-/m0/s1 |
| SMILES | CCCCCCCC/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](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)O6)[C@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C87H157N3O37/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-61(102)90-52(64(103)53(99)40-38-36-34-32-30-18-16-14-12-10-8-6-2)49-116-82-71(110)70(109)75(60(48-96)121-82)122-83-73(112)79(68(107)58(46-94)118-83)125-84-72(111)78(67(106)57(45-93)119-84)124-81-63(89-51(4)98)76(66(105)56(44-92)117-81)123-85-74(113)80(69(108)59(47-95)120-85)127-87(86(114)115)42-54(100)62(88-50(3)97)77(126-87)65(104)55(101)43-91/h19-20,52-60,62-85,91-96,99-101,103-113H,5-18,21-49H2,1-4H3,(H,88,97)(H,89,98)(H,90,102)(H,114,115)/b20-19-/t52-,53+,54-,55+,56+,57+,58+,59+,60+,62+,63+,64-,65+,66-,67-,68-,69-,70+,71+,72+,73+,74+,75+,76+,77+,78-,79-,80-,81-,82+,83-,84+,85-,87-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17]/[CH:19]=[CH:20]\[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:61](=[N:90][C@@H:52]([CH2:49][O:116][C@H:82]1[C@H:71]([OH:110])[C@@H:70]([OH:109])[C@H:75]([O:122][C@H:83]2[C@H:73]([OH:112])[C@@H:79]([O:125][C@@H:84]3[C@H:72]([OH:111])[C@@H:78]([O:124][C@H:81]4[C@H:63]([N:89]=[C:51]([CH3:4])[OH:98])[C@@H:76]([O:123][C@H:85]5[C@H:74]([OH:113])[C@@H:80]([O:127][C@:87]6([C:86](=[O:114])[OH:115])[CH2:42][C@H:54]([OH:100])[C@@H:62]([N:88]=[C:50]([CH3:3])[OH:97])[C@H:77]([C@@H:65]([C@@H:55]([CH2:43][OH:91])[OH:101])[OH:104])[O:126]6)[C@@H:69]([OH:108])[C@@H:59]([CH2:47][OH:95])[O:120]5)[C@@H:66]([OH:105])[C@@H:56]([CH2:44][OH:92])[O:117]4)[C@@H:67]([OH:106])[C@@H:57]([CH2:45][OH:93])[O:119]3)[C@@H:68]([OH:107])[C@@H:58]([CH2:46][OH:94])[O:118]2)[C@@H:60]([CH2:48][OH:96])[O:121]1)[C@@H:64]([C@@H:53]([CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:99])[OH:103])[OH:102] |
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