| Properties | Image |
|---|
| MNX_ID | MNXM1064385 |
 |
| reference | slm:000757047 |
| formula | C80H143NO22 |
| global charge | 0 |
| mol weight | 1471.009 |
| InChIKey | KBNLJXQYKNAGOA-VXYIGMSYSA-N |
| InChI | InChI=1S/C80H143NO22/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(86)81-59(60(85)52-50-48-46-44-42-40-17-15-13-11-9-7-5-2)57-96-77-72(94)70(92)74(63(56-84)100-77)101-79-73(95)75(67(89)62(55-83)98-79)102-80-76(69(91)66(88)61(54-82)99-80)103-78-71(93)68(90)65(87)58(3)97-78/h12,14,18-19,21-22,24-25,50,52,58-63,65-80,82-85,87-95H,4-11,13,15-17,20,23,26-49,51,53-57H2,1-3H3,(H,81,86)/b14-12-,19-18-,22-21-,25-24-,52-50+/t58-,59-,60+,61+,62+,63+,65+,66-,67-,68+,69-,70+,71-,72+,73+,74+,75-,76+,77+,78-,79-,80+/m0/s1 |
| SMILES | CCCCC/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@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C80H143NO22/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(86)81-59(60(85)52-50-48-46-44-42-40-17-15-13-11-9-7-5-2)57-96-77-72(94)70(92)74(63(56-84)100-77)101-79-73(95)75(67(89)62(55-83)98-79)102-80-76(69(91)66(88)61(54-82)99-80)103-78-71(93)68(90)65(87)58(3)97-78/h12,14,18-19,21-22,24-25,50,52,58-63,65-80,82-85,87-95H,4-11,13,15-17,20,23,26-49,51,53-57H2,1-3H3,(H,81,86)/b14-12-,19-18-,22-21-,25-24-,52-50+/t58-,59-,60+,61+,62+,63+,65+,66-,67-,68+,69-,70+,71-,72+,73+,74+,75-,76+,77+,78-,79-,80+/m0/s1 |
 |
| 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][CH2:38][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][C:64](=[N:81][C@@H:59]([CH2:57][O:96][C@H:77]1[C@H:72]([OH:94])[C@@H:70]([OH:92])[C@H:74]([O:101][C@H:79]2[C@H:73]([OH:95])[C@@H:75]([O:102][C@@H:80]3[C@H:76]([O:103][C@H:78]4[C@@H:71]([OH:93])[C@H:68]([OH:90])[C@H:65]([OH:87])[C@H:58]([CH3:3])[O:97]4)[C@@H:69]([OH:91])[C@@H:66]([OH:88])[C@@H:61]([CH2:54][OH:82])[O:99]3)[C@@H:67]([OH:89])[C@@H:62]([CH2:55][OH:83])[O:98]2)[C@@H:63]([CH2:56][OH:84])[O:100]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:85])[OH:86] |
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