Marvin  10100711062D          

 12 13  0  0  0  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4991    0.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9840    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4991   -0.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  3 11  1  0  0  0  0
  3  4  2  0  0  0  0
  4  9  1  0  0  0  0
  5  2  2  0  0  0  0
  4  5  1  0  0  0  0
  5  8  1  0  0  0  0
  6  1  2  0  0  0  0
  3  6  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
> <ID>
CHEBI:46811

> <NAME>
2,6-dihydroxy-7,9-dihydro-8H-purin-8-one

> <STAR>
3

> <IUPAC_NAME>
2,6-dihydroxy-7,9-dihydro-8H-purin-8-one

> <FORMULA>
C5H4N4O3

> <MASS>
168.11042

> <MONOISOTOPIC_MASS>
168.02834

> <CHARGE>
0

> <SMILES>
Oc1nc(O)c2[nH]c(=O)[nH]c2n1

> <INCHI>
InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)

> <INCHIKEY>
LEHOTFFKMJEONL-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1111913

$$$$