| Properties | Image |
|---|
| MNX_ID | MNXM523893 |
 |
| reference | slm:000486612 |
| formula | C77H135N2O21 |
| global charge | -1 |
| mol weight | 1424.92 |
| InChIKey | JZIKYXWSXSNHCD-OFSUJEFQSA-M |
| InChI | InChI=1S/C77H136N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-64(87)79-58(59(84)50-48-46-44-42-40-38-17-15-13-11-9-7-5-2)56-95-74-69(91)68(90)71(63(55-82)97-74)98-75-70(92)73(67(89)62(54-81)96-75)100-77(76(93)94)52-60(85)65(78-57(3)83)72(99-77)66(88)61(86)53-80/h12,14,18-19,21-22,24-25,48,50,58-63,65-75,80-82,84-86,88-92H,4-11,13,15-17,20,23,26-47,49,51-56H2,1-3H3,(H,78,83)(H,79,87)(H,93,94)/p-1/b14-12-,19-18-,22-21-,25-24-,50-48+/t58-,59+,60-,61+,62+,63+,65+,66+,67-,68+,69+,70+,71+,72+,73-,74+,75-,77-/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](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/C77H136N2O21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-64(87)79-58(59(84)50-48-46-44-42-40-38-17-15-13-11-9-7-5-2)56-95-74-69(91)68(90)71(63(55-82)97-74)98-75-70(92)73(67(89)62(54-81)96-75)100-77(76(93)94)52-60(85)65(78-57(3)83)72(99-77)66(88)61(86)53-80/h12,14,18-19,21-22,24-25,48,50,58-63,65-75,80-82,84-86,88-92H,4-11,13,15-17,20,23,26-47,49,51-56H2,1-3H3,(H,78,83)(H,79,87)(H,93,94)/b14-12-,19-18-,22-21-,25-24-,50-48+/t58-,59+,60-,61+,62+,63+,65+,66+,67-,68+,69+,70+,71+,72+,73-,74+,75-,77-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][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][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][C:64](=[N:79][C@@H:58]([CH2:56][O:95][C@H:74]1[C@H:69]([OH:91])[C@@H:68]([OH:90])[C@H:71]([O:98][C@H:75]2[C@H:70]([OH:92])[C@@H:73]([O:100][C@:77]3([C:76](=[O:93])[OH:94])[CH2:52][C@H:60]([OH:85])[C@@H:65]([N:78]=[C:57]([CH3:3])[OH:83])[C@H:72]([C@@H:66]([C@@H:61]([CH2:53][OH:80])[OH:86])[OH:88])[O:99]3)[C@@H:67]([OH:89])[C@@H:62]([CH2:54][OH:81])[O:96]2)[C@@H:63]([CH2:55][OH:82])[O:97]1)[C@@H:59](/[CH:50]=[CH:48]/[CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:84])[OH:87] |
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