| Properties | Image |
|---|
| MNX_ID | MNXM1065517 |
 |
| reference | slm:000758181 |
| formula | C80H143NO23 |
| global charge | 0 |
| mol weight | 1487.008 |
| InChIKey | BQMGSMVHVKIJFJ-SOYMGAOBSA-N |
| InChI | InChI=1S/C80H143NO23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-50-52-63(86)81-58(65(88)59(85)51-49-47-45-43-41-17-15-13-11-9-7-5-2)56-97-77-73(96)70(93)74(62(55-84)101-77)102-80-76(104-78-71(94)68(91)64(87)57(3)98-78)75(67(90)61(54-83)100-80)103-79-72(95)69(92)66(89)60(53-82)99-79/h12,14,18-19,21-22,24-25,27-28,57-62,64-80,82-85,87-96H,4-11,13,15-17,20,23,26,29-56H2,1-3H3,(H,81,86)/b14-12-,19-18-,22-21-,25-24-,28-27-/t57-,58-,59+,60+,61+,62+,64+,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\C/C=C\CCCCCCCCCCCCCCCCCCC(=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]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C80H143NO23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-50-52-63(86)81-58(65(88)59(85)51-49-47-45-43-41-17-15-13-11-9-7-5-2)56-97-77-73(96)70(93)74(62(55-84)101-77)102-80-76(104-78-71(94)68(91)64(87)57(3)98-78)75(67(90)61(54-83)100-80)103-79-72(95)69(92)66(89)60(53-82)99-79/h12,14,18-19,21-22,24-25,27-28,57-62,64-80,82-85,87-96H,4-11,13,15-17,20,23,26,29-56H2,1-3H3,(H,81,86)/b14-12-,19-18-,22-21-,25-24-,28-27-/t57-,58-,59+,60+,61+,62+,64+,65-,66-,67-,68+,69-,70+,71-,72+,73+,74+,75-,76+,77+,78-,79+,80-/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]/[CH:27]=[CH:28]\[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][C:63](=[N:81][C@@H:58]([CH2:56][O:97][C@H:77]1[C@H:73]([OH:96])[C@@H:70]([OH:93])[C@H:74]([O:102][C@H:80]2[C@H:76]([O:104][C@H:78]3[C@@H:71]([OH:94])[C@H:68]([OH:91])[C@H:64]([OH:87])[C@H:57]([CH3:3])[O:98]3)[C@@H:75]([O:103][C@@H:79]3[C@H:72]([OH:95])[C@@H:69]([OH:92])[C@@H:66]([OH:89])[C@@H:60]([CH2:53][OH:82])[O:99]3)[C@@H:67]([OH:90])[C@@H:61]([CH2:54][OH:83])[O:100]2)[C@@H:62]([CH2:55][OH:84])[O:101]1)[C@@H:65]([C@@H:59]([CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:85])[OH:88])[OH:86] |
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