| Properties | Image |
|---|
| MNX_ID | MNXM1066167 |
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| reference | slm:000759276 |
| formula | C88H156N2O27 |
| global charge | 0 |
| mol weight | 1674.203 |
| InChIKey | GRNGXHUBWLZHTP-JKVSHABGSA-N |
| InChI | InChI=1S/C88H156N2O27/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-68(97)90-62(63(96)53-51-49-47-45-43-41-39-20-18-16-14-12-10-8-6-2)59-108-85-78(106)75(103)81(66(57-93)112-85)115-87-79(107)76(104)80(67(58-94)113-87)114-84-69(89-61(4)95)82(72(100)65(56-92)110-84)116-88-83(74(102)71(99)64(55-91)111-88)117-86-77(105)73(101)70(98)60(3)109-86/h13,15,19,21,23-24,26-27,51,53,60,62-67,69-88,91-94,96,98-107H,5-12,14,16-18,20,22,25,28-50,52,54-59H2,1-4H3,(H,89,95)(H,90,97)/b15-13-,21-19-,24-23-,27-26-,53-51+/t60-,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-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=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]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C88H156N2O27/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-68(97)90-62(63(96)53-51-49-47-45-43-41-39-20-18-16-14-12-10-8-6-2)59-108-85-78(106)75(103)81(66(57-93)112-85)115-87-79(107)76(104)80(67(58-94)113-87)114-84-69(89-61(4)95)82(72(100)65(56-92)110-84)116-88-83(74(102)71(99)64(55-91)111-88)117-86-77(105)73(101)70(98)60(3)109-86/h13,15,19,21,23-24,26-27,51,53,60,62-67,69-88,91-94,96,98-107H,5-12,14,16-18,20,22,25,28-50,52,54-59H2,1-4H3,(H,89,95)(H,90,97)/b15-13-,21-19-,24-23-,27-26-,53-51+/t60-,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-/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: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][CH2:36][CH2:37][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][C:68](=[N:90][C@@H:62]([CH2:59][O:108][C@H:85]1[C@H:78]([OH:106])[C@@H:75]([OH:103])[C@H:81]([O:115][C@H:87]2[C@H:79]([OH:107])[C@@H:76]([OH:104])[C@@H:80]([O:114][C@H:84]3[C@H:69]([N:89]=[C:61]([CH3:4])[OH:95])[C@@H:82]([O:116][C@H:88]4[C@H:83]([O:117][C@H:86]5[C@@H:77]([OH:105])[C@H:73]([OH:101])[C@H:70]([OH:98])[C@H:60]([CH3:3])[O:109]5)[C@@H:74]([OH:102])[C@@H:71]([OH:99])[C@@H:64]([CH2:55][OH:91])[O:111]4)[C@@H:72]([OH:100])[C@@H:65]([CH2:56][OH:92])[O:110]3)[C@@H:67]([CH2:58][OH:94])[O:113]2)[C@@H:66]([CH2:57][OH:93])[O:112]1)[C@@H:63](/[CH:53]=[CH:51]/[CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:96])[OH:97] |
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