ChEBI
  Marvin  05100617032D          

 17 18  0  0  1  0            999 V2000
   12.8332  -11.1541    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1916  -10.6807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5896  -11.9605    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5190  -11.1713    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7661  -11.9605    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0734  -12.6227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7367  -10.9174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2788  -12.6192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0745  -11.4080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9616   -8.7730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2471  -10.0105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9616   -9.5980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5327   -8.7730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5327   -9.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8182  -10.0105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2471   -8.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2471   -7.5355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  6  0  0  0
  4  7  1  1  0  0  0
  4  5  1  0  0  0  0
  5  8  1  6  0  0  0
  7  9  1  0  0  0  0
 16 13  1  0  0  0  0
 16 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 10  2  0  0  0  0
  1 11  1  1  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
> <ID>
CHEBI:35668

> <NAME>
6-azauridine

> <STAR>
3

> <SYNONYM>
Azauridine; 6-azauridine; 6-azauridine; 6-Azauracil 1-riboside; 3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazine riboside; 2beta-D-Ribofuranosyl-as-triazine-3,5(2H,4H)-dione; 2-beta-D-Ribofuranosyl-1,2,4-triazine-3,5(2H,4H)-dione

> <IUPAC_NAME>
2-beta-D-ribofuranosyl-1,2,4-triazine-3,5(2H,4H)-dione

> <FORMULA>
C8H11N3O6

> <MASS>
245.18956

> <MONOISOTOPIC_MASS>
245.06479

> <CHARGE>
0

> <SMILES>
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ncc(=O)[nH]c1=O

> <INCHI>
InChI=1S/C8H11N3O6/c12-2-3-5(14)6(15)7(17-3)11-8(16)10-4(13)1-9-11/h1,3,5-7,12,14-15H,2H2,(H,10,13,16)/t3-,5-,6-,7-/m1/s1

> <INCHIKEY>
WYXSYVWAUAUWLD-SHUUEZRQSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
32281

> <CAS_REGISTRY_NUMBER>
54-25-1

> <CHEMIDPLUS>
54-25-1

> <LINCS_ACCESSION>
LSM-37135

$$$$