| Properties | Image |
|---|
| MNX_ID | MNXM1063222 |
 |
| reference | slm:000755862 |
| formula | C66H117NO19 |
| global charge | 0 |
| mol weight | 1228.65 |
| InChIKey | GEMMAWWRFNCWIQ-VYLASIQXSA-N |
| InChI | InChI=1S/C66H117NO19/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-53(72)67-48(54(73)49(71)42-40-38-36-34-32-16-14-12-10-8-6-4-2)47-81-64-60(79)58(77)62(52(46-70)84-64)85-66-61(80)63(56(75)51(45-69)83-66)86-65-59(78)57(76)55(74)50(44-68)82-65/h11,13,17-18,20-21,23-24,26-27,48-52,54-66,68-71,73-80H,3-10,12,14-16,19,22,25,28-47H2,1-2H3,(H,67,72)/b13-11-,18-17-,21-20-,24-23-,27-26-/t48-,49+,50+,51+,52+,54-,55-,56-,57-,58+,59+,60+,61+,62+,63-,64+,65+,66-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=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](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C66H117NO19/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-53(72)67-48(54(73)49(71)42-40-38-36-34-32-16-14-12-10-8-6-4-2)47-81-64-60(79)58(77)62(52(46-70)84-64)85-66-61(80)63(56(75)51(45-69)83-66)86-65-59(78)57(76)55(74)50(44-68)82-65/h11,13,17-18,20-21,23-24,26-27,48-52,54-66,68-71,73-80H,3-10,12,14-16,19,22,25,28-47H2,1-2H3,(H,67,72)/b13-11-,18-17-,21-20-,24-23-,27-26-/t48-,49+,50+,51+,52+,54-,55-,56-,57-,58+,59+,60+,61+,62+,63-,64+,65+,66-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][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]/[CH:26]=[CH:27]\[CH2:28][CH2:29][CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][C:53](=[N:67][C@@H:48]([CH2:47][O:81][C@H:64]1[C@H:60]([OH:79])[C@@H:58]([OH:77])[C@H:62]([O:85][C@H:66]2[C@H:61]([OH:80])[C@@H:63]([O:86][C@@H:65]3[C@H:59]([OH:78])[C@@H:57]([OH:76])[C@@H:55]([OH:74])[C@@H:50]([CH2:44][OH:68])[O:82]3)[C@@H:56]([OH:75])[C@@H:51]([CH2:45][OH:69])[O:83]2)[C@@H:52]([CH2:46][OH:70])[O:84]1)[C@@H:54]([C@@H:49]([CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:71])[OH:73])[OH:72] |
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