| Properties | Image |
|---|
| MNX_ID | MNXM101536 |
 |
| reference | chebi:70442 |
| formula | C59H94O28 |
| global charge | 0 |
| mol weight | 1251.373 |
| InChIKey | VBEBKYZOUNIPAW-HGJHJUQKSA-N |
| InChI | InChI=1S/C59H94O28/c1-24-41(83-47-40(73)42(30(66)20-77-47)84-51-45(74)58(76,22-62)23-79-51)39(72)44(81-25(2)63)50(80-24)85-43-35(68)29(65)19-78-49(43)87-52(75)59-14-13-53(3,4)15-27(59)26-9-10-33-54(5)16-28(64)46(86-48-38(71)37(70)36(69)31(18-60)82-48)55(6,21-61)32(54)11-12-56(33,7)57(26,8)17-34(59)67/h9,24,27-51,60-62,64-74,76H,10-23H2,1-8H3/t24-,27-,28-,29-,30+,31+,32+,33+,34+,35-,36+,37-,38+,39+,40+,41-,42-,43+,44+,45-,46-,47-,48-,49-,50-,51-,54-,55+,56+,57+,58+,59+/m0/s1 |
| SMILES | CC(=O)O[C@H]1[C@H](O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O)OC[C@H](O)[C@@H]2O)O[C@@H](C)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H]2O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C59H94O28/c1-24-41(83-47-40(73)42(30(66)20-77-47)84-51-45(74)58(76,22-62)23-79-51)39(72)44(81-25(2)63)50(80-24)85-43-35(68)29(65)19-78-49(43)87-52(75)59-14-13-53(3,4)15-27(59)26-9-10-33-54(5)16-28(64)46(86-48-38(71)37(70)36(69)31(18-60)82-48)55(6,21-61)32(54)11-12-56(33,7)57(26,8)17-34(59)67/h9,24,27-51,60-62,64-74,76H,10-23H2,1-8H3/t24-,27-,28-,29-,30+,31+,32+,33+,34+,35-,36+,37-,38+,39+,40+,41-,42-,43+,44+,45-,46-,47-,48-,49-,50-,51-,54-,55+,56+,57+,58+,59+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:24]1[C@H:41]([O:83][C@H:47]2[C@H:40]([OH:73])[C@@H:42]([O:84][C@H:51]3[C@H:45]([OH:74])[C@:58]([CH2:22][OH:62])([OH:76])[CH2:23][O:79]3)[C@H:30]([OH:66])[CH2:20][O:77]2)[C@@H:39]([OH:72])[C@@H:44]([O:81][C:25]([CH3:2])=[O:63])[C@H:50]([O:85][C@@H:43]2[C@@H:35]([OH:68])[C@@H:29]([OH:65])[CH2:19][O:78][C@H:49]2[O:87][C:52]([C@:59]23[CH2:14][CH2:13][C:53]([CH3:3])([CH3:4])[CH2:15][C@H:27]2[C:26]2=[CH:9][CH2:10][C@@H:33]4[C@@:54]5([CH3:5])[CH2:16][C@H:28]([OH:64])[C@H:46]([O:86][C@H:48]6[C@H:38]([OH:71])[C@@H:37]([OH:70])[C@H:36]([OH:69])[C@@H:31]([CH2:18][OH:60])[O:82]6)[C@:55]([CH3:6])([CH2:21][OH:61])[C@@H:32]5[CH2:11][CH2:12][C@@:56]4([CH3:7])[C@:57]2([CH3:8])[CH2:17][C@H:34]3[OH:67])=[O:75])[O:80]1 |
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