| Properties | Image | Occurences in reactions |
MNX_ID | MNXM104510 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 0 |
in models (compartimentalized) |
0 |
|
formula | C20H21N3O9 |
charge | 0 |
mass | 447.12778 |
reference | chebi:70216 |
InChIKey | JWECGEKFHGOJMI-XJFGBDJVSA-N |
InChI | InChI=1S/C20H21N3O9/c1-6(25)11-13-10(16(27)14(22-11)19(21)30)7-3-2-4-8(12(7)23-13)31-20-18(29)17(28)15(26)9(5-24)32-20/h2-4,9,15,17-18,20,23-24,26-29H,5H2,1H3,(H2,21,30)/t9-,15-,17+,18-,20-/m1/s1 |
SMILES | CC(=O)c1nc(C(N)=O)c(O)c2c1[nH]c1c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cccc12 |
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