| Properties | Image |
|---|
| MNX_ID | MNXM522115 |
 |
| reference | slm:000487855 |
| formula | C76H134N2O18 |
| global charge | 0 |
| mol weight | 1363.904 |
| InChIKey | YBKSSPQLFTUKEL-DMMZQJNGSA-N |
| InChI | InChI=1S/C76H134N2O18/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-51-53-64(84)78-59(60(83)52-50-48-46-44-42-40-17-15-13-11-9-7-5-2)57-91-75-70(89)68(87)73(62(55-80)93-75)96-76-71(90)69(88)72(63(56-81)94-76)95-74-65(77-58(3)82)67(86)66(85)61(54-79)92-74/h6,8,12,14,18-19,21-22,24-25,50,52,59-63,65-76,79-81,83,85-90H,4-5,7,9-11,13,15-17,20,23,26-49,51,53-57H2,1-3H3,(H,77,82)(H,78,84)/b8-6-,14-12-,19-18-,22-21-,25-24-,52-50+/t59-,60+,61+,62+,63+,65+,66-,67+,68+,69+,70+,71+,72-,73+,74-,75+,76-/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]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C76H134N2O18/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-51-53-64(84)78-59(60(83)52-50-48-46-44-42-40-17-15-13-11-9-7-5-2)57-91-75-70(89)68(87)73(62(55-80)93-75)96-76-71(90)69(88)72(63(56-81)94-76)95-74-65(77-58(3)82)67(86)66(85)61(54-79)92-74/h6,8,12,14,18-19,21-22,24-25,50,52,59-63,65-76,79-81,83,85-90H,4-5,7,9-11,13,15-17,20,23,26-49,51,53-57H2,1-3H3,(H,77,82)(H,78,84)/b8-6-,14-12-,19-18-,22-21-,25-24-,52-50+/t59-,60+,61+,62+,63+,65+,66-,67+,68+,69+,70+,71+,72-,73+,74-,75+,76-/m0/s1 |
 |
| 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:64](=[N:78][C@@H:59]([CH2:57][O:91][C@H:75]1[C@H:70]([OH:89])[C@@H:68]([OH:87])[C@H:73]([O:96][C@H:76]2[C@H:71]([OH:90])[C@@H:69]([OH:88])[C@@H:72]([O:95][C@H:74]3[C@H:65]([N:77]=[C:58]([CH3:3])[OH:82])[C@@H:67]([OH:86])[C@@H:66]([OH:85])[C@@H:61]([CH2:54][OH:79])[O:92]3)[C@@H:63]([CH2:56][OH:81])[O:94]2)[C@@H:62]([CH2:55][OH:80])[O:93]1)[C@@H:60](/[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:83])[OH:84] |
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