| Properties | Image | Occurences in reactions |
MNX_ID | MNXM161671 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 0 |
in models (compartimentalized) |
0 |
|
formula | C16H15N3O10S |
charge | 0 |
mass | 441.04781 |
reference | hmdb:HMDB0060643 |
InChIKey | UJTOVSZPBVTOMC-VDQYPUQXSA-N |
InChI | InChI=1S/C16H15N3O10S/c20-9-10(21)12(14(24)25)29-15(11(9)22)28-7-4-2-1-3-6(7)13(23)18-16-17-5-8(30-16)19(26)27/h1-5,9-12,15,20-22H,(H,24,25)(H,17,18,23)/t9-,10-,11+,12-,15?/m0/s1 |
SMILES | O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1OC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O |
|