| Properties | Image | Occurences in reactions |
MNX_ID | MNXM162010 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 0 |
in models (compartimentalized) |
0 |
|
formula | C28H42N8O12 |
charge | 0 |
mass | 682.29222 |
reference | keggD:D10432 |
InChIKey | QEJCWSHGGGKFSI-IGLFIGLUSA-N |
InChI | InChI=1S/2C12H16N4O3.C4H6O4.2H2O/c2*17-5-8-3-16(4-9(8)18)2-7-1-13-11-10(7)14-6-15-12(11)19;5-3(6)1-2-4(7)8;;/h2*1,6,8-9,13,17-18H,2-5H2,(H,14,15,19);1-2H2,(H,5,6)(H,7,8);2*1H2/t2*8-,9+;;;/m11.../s1 |
SMILES | O.O.O=C(O)CCC(=O)O.O=c1[nH]cnc2c(CN3C[C@H](O)[C@@H](CO)C3)c[nH]c12.O=c1[nH]cnc2c(CN3C[C@H](O)[C@@H](CO)C3)c[nH]c12 |
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