| Properties | Image |
|---|
| MNX_ID | MNXM1056276 |
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| reference | slm:000748714 |
| formula | C84H149N3O29 |
| global charge | 0 |
| mol weight | 1665.108 |
| InChIKey | MESYHFXGSLPODD-ODYURNJPSA-N |
| InChI | InChI=1S/C84H149N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-47-63(96)87-56(66(97)57(95)46-44-42-40-38-36-18-16-14-12-10-8-6-2)53-107-82-73(104)71(102)76(61(51-91)111-82)113-83-74(105)72(103)77(62(52-92)112-83)114-84-75(106)79(69(100)60(50-90)110-84)116-81-65(86-55(4)94)78(68(99)59(49-89)109-81)115-80-64(85-54(3)93)70(101)67(98)58(48-88)108-80/h13,15,19-20,22-23,25-26,56-62,64-84,88-92,95,97-106H,5-12,14,16-18,21,24,27-53H2,1-4H3,(H,85,93)(H,86,94)(H,87,96)/b15-13-,20-19-,23-22-,26-25-/t56-,57+,58+,59+,60+,61+,62+,64+,65+,66-,67-,68-,69-,70+,71+,72+,73+,74+,75+,76+,77-,78+,79-,80-,81-,82+,83-,84-/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]5NC(C)=O)[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/C84H149N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-47-63(96)87-56(66(97)57(95)46-44-42-40-38-36-18-16-14-12-10-8-6-2)53-107-82-73(104)71(102)76(61(51-91)111-82)113-83-74(105)72(103)77(62(52-92)112-83)114-84-75(106)79(69(100)60(50-90)110-84)116-81-65(86-55(4)94)78(68(99)59(49-89)109-81)115-80-64(85-54(3)93)70(101)67(98)58(48-88)108-80/h13,15,19-20,22-23,25-26,56-62,64-84,88-92,95,97-106H,5-12,14,16-18,21,24,27-53H2,1-4H3,(H,85,93)(H,86,94)(H,87,96)/b15-13-,20-19-,23-22-,26-25-/t56-,57+,58+,59+,60+,61+,62+,64+,65+,66-,67-,68-,69-,70+,71+,72+,73+,74+,75+,76+,77-,78+,79-,80-,81-,82+,83-,84-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27][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][C:63](=[N:87][C@@H:56]([CH2:53][O:107][C@H:82]1[C@H:73]([OH:104])[C@@H:71]([OH:102])[C@H:76]([O:113][C@H:83]2[C@H:74]([OH:105])[C@@H:72]([OH:103])[C@@H:77]([O:114][C@H:84]3[C@H:75]([OH:106])[C@@H:79]([O:116][C@H:81]4[C@H:65]([N:86]=[C:55]([CH3:4])[OH:94])[C@@H:78]([O:115][C@H:80]5[C@H:64]([N:85]=[C:54]([CH3:3])[OH:93])[C@@H:70]([OH:101])[C@@H:67]([OH:98])[C@@H:58]([CH2:48][OH:88])[O:108]5)[C@@H:68]([OH:99])[C@@H:59]([CH2:49][OH:89])[O:109]4)[C@@H:69]([OH:100])[C@@H:60]([CH2:50][OH:90])[O:110]3)[C@@H:62]([CH2:52][OH:92])[O:112]2)[C@@H:61]([CH2:51][OH:91])[O:111]1)[C@@H:66]([C@@H:57]([CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:95])[OH:97])[OH:96] |
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