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nigeran
MNXM19899 is deprecated and here replaced by MNXM732215
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM732215 |
 |
| reference | metacycM:Nigerans |
| formula | C18H30O16*2 |
| global charge | 0 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]O[C@H]1O[C@H](CO)[C@@H](O)[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]1O |
MNX internals
| InChI (mnx) | InChI=1/C20H36O16/c1-30-16-9(24)6(3-21)33-20(13(16)28)35-15-8(5-23)34-19(12(27)11(15)26)36-17-10(25)7(4-22)32-18(31-2)14(17)29/h6-29H,3-5H2,1-2H3/t6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17+,18+,19-,20-/m1/s1/i1+1,2+1 |
 |
| SMILES (mnx) | [13CH3:1][O:30][C@H:16]1[C@H:9]([OH:24])[C@@H:6]([CH2:3][OH:21])[O:33][C@H:20]([O:35][C@@H:15]2[C@@H:8]([CH2:5][OH:23])[O:34][C@H:19]([O:36][C@H:17]3[C@H:10]([OH:25])[C@@H:7]([CH2:4][OH:22])[O:32][C@H:18]([O:31][13CH3:2])[C@@H:14]3[OH:29])[C@H:12]([OH:27])[C@H:11]2[OH:26])[C@@H:13]1[OH:28] |
|
| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 0 |
| in models (compartimentalized) |
0 |
|