| Properties | Image |
|---|
| MNX_ID | MNXM522313 |
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| reference | slm:000485763 |
| formula | C74H131NO18 |
| global charge | 0 |
| mol weight | 1322.851 |
| InChIKey | KJFYZRSYLOVLSY-LMYNQJKDSA-N |
| InChI | InChI=1S/C74H131NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-62(80)75-57(58(79)51-49-47-45-43-41-39-16-14-12-10-8-6-4-2)56-88-72-68(86)65(83)70(60(54-77)90-72)93-74-69(87)66(84)71(61(55-78)91-74)92-73-67(85)64(82)63(81)59(53-76)89-73/h5,7,11,13,17-18,20-21,23-24,49,51,57-61,63-74,76-79,81-87H,3-4,6,8-10,12,14-16,19,22,25-48,50,52-56H2,1-2H3,(H,75,80)/b7-5-,13-11-,18-17-,21-20-,24-23-,51-49+/t57-,58+,59+,60+,61+,63-,64-,65+,66+,67+,68+,69+,70+,71-,72+,73+,74-/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]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C74H131NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-62(80)75-57(58(79)51-49-47-45-43-41-39-16-14-12-10-8-6-4-2)56-88-72-68(86)65(83)70(60(54-77)90-72)93-74-69(87)66(84)71(61(55-78)91-74)92-73-67(85)64(82)63(81)59(53-76)89-73/h5,7,11,13,17-18,20-21,23-24,49,51,57-61,63-74,76-79,81-87H,3-4,6,8-10,12,14-16,19,22,25-48,50,52-56H2,1-2H3,(H,75,80)/b7-5-,13-11-,18-17-,21-20-,24-23-,51-49+/t57-,58+,59+,60+,61+,63-,64-,65+,66+,67+,68+,69+,70+,71-,72+,73+,74-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25][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][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][C:62](=[N:75][C@@H:57]([CH2:56][O:88][C@H:72]1[C@H:68]([OH:86])[C@@H:65]([OH:83])[C@H:70]([O:93][C@H:74]2[C@H:69]([OH:87])[C@@H:66]([OH:84])[C@@H:71]([O:92][C@@H:73]3[C@H:67]([OH:85])[C@@H:64]([OH:82])[C@@H:63]([OH:81])[C@@H:59]([CH2:53][OH:76])[O:89]3)[C@@H:61]([CH2:55][OH:78])[O:91]2)[C@@H:60]([CH2:54][OH:77])[O:90]1)[C@@H:58](/[CH:51]=[CH:49]/[CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:79])[OH:80] |
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