| Properties | Image |
|---|
| MNX_ID | MNXM523899 |
 |
| reference | slm:000486613 |
| formula | C79H137N2O21 |
| global charge | -1 |
| mol weight | 1450.958 |
| InChIKey | AKMAGAKEARDDNH-HLJGCSLKSA-M |
| InChI | InChI=1S/C79H138N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-51-53-66(89)81-60(61(86)52-50-48-46-44-42-40-17-15-13-11-9-7-5-2)58-97-76-71(93)70(92)73(65(57-84)99-76)100-77-72(94)75(69(91)64(56-83)98-77)102-79(78(95)96)54-62(87)67(80-59(3)85)74(101-79)68(90)63(88)55-82/h6,8,12,14,18-19,21-22,24-25,50,52,60-65,67-77,82-84,86-88,90-94H,4-5,7,9-11,13,15-17,20,23,26-49,51,53-58H2,1-3H3,(H,80,85)(H,81,89)(H,95,96)/p-1/b8-6-,14-12-,19-18-,22-21-,25-24-,52-50+/t60-,61+,62-,63+,64+,65+,67+,68+,69-,70+,71+,72+,73+,74+,75-,76+,77-,79-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCC(=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@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C79H138N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-51-53-66(89)81-60(61(86)52-50-48-46-44-42-40-17-15-13-11-9-7-5-2)58-97-76-71(93)70(92)73(65(57-84)99-76)100-77-72(94)75(69(91)64(56-83)98-77)102-79(78(95)96)54-62(87)67(80-59(3)85)74(101-79)68(90)63(88)55-82/h6,8,12,14,18-19,21-22,24-25,50,52,60-65,67-77,82-84,86-88,90-94H,4-5,7,9-11,13,15-17,20,23,26-49,51,53-58H2,1-3H3,(H,80,85)(H,81,89)(H,95,96)/b8-6-,14-12-,19-18-,22-21-,25-24-,52-50+/t60-,61+,62-,63+,64+,65+,67+,68+,69-,70+,71+,72+,73+,74+,75-,76+,77-,79-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:6]=[CH:8]\[CH2:10]/[CH:12]=[CH:14]\[CH2:16]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][C:66](=[N:81][C@@H:60]([CH2:58][O:97][C@H:76]1[C@H:71]([OH:93])[C@@H:70]([OH:92])[C@H:73]([O:100][C@H:77]2[C@H:72]([OH:94])[C@@H:75]([O:102][C@:79]3([C:78](=[O:95])[OH:96])[CH2:54][C@H:62]([OH:87])[C@@H:67]([N:80]=[C:59]([CH3:3])[OH:85])[C@H:74]([C@@H:68]([C@@H:63]([CH2:55][OH:82])[OH:88])[OH:90])[O:101]3)[C@@H:69]([OH:91])[C@@H:64]([CH2:56][OH:83])[O:98]2)[C@@H:65]([CH2:57][OH:84])[O:99]1)[C@@H:61](/[CH:52]=[CH:50]/[CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:86])[OH:89] |
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