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solasodine 3-O-beta-D-galactoside
MNXM681505 is deprecated and here replaced by MNXM1107629
!!! Alternative mappings exist !!!
| Properties | Image | Occurences in reactions |
|---|
| MNX_ID | MNXM1107629 | 
|
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 1 |
| in models (compartimentalized) |
0 |
|
| formula | C33H54NO7 |
| charge | 1 |
| mass | 576.38948 |
| reference | metacycM:CPD-18738 |
| InChIKey | XMLLJGHZPHTUKK-VZNIMFFESA-O |
| InChI | InChI=1S/C33H53NO7/c1-17-7-12-33(34-15-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(38)28(37)27(36)25(16-35)40-30/h5,17-18,20-30,34-38H,6-16H2,1-4H3/p+1/t17-,18+,20+,21-,22+,23+,24+,25-,26+,27+,28+,29-,30-,31+,32-,33-/m1/s1 |
| SMILES | C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]32C)O[C@]12CC[C@@H](C)C[NH2+]2 |
|
| Parent-child relations graph |
Deprecated MNXref IDs graph |
