Ketcher 05171613302D 1   1.00000     0.00000     0

 12 13  0     0  0            999 V2000
    7.8364  -37.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7025  -37.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8364  -38.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7025  -39.0039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5685  -37.5040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8854  -37.1949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5685  -38.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2976  -38.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7026  -36.0039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4346  -39.0039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2977  -38.0040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8854  -38.8130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0     0  0
  2  9  1  0     0  0
  3 12  1  0     0  0
 12  8  1  0     0  0
  6  8  1  0     0  0
  7 10  2  0     0  0
  8 11  2  0     0  0
  5  7  1  0     0  0
  2  5  1  0     0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  4  7  1  0     0  0
  3  4  2  0     0  0
M  END
> <ID>
CHEBI:62589

> <NAME>
6-hydroxy-1H-purine-2,8(7H,9H)-dione

> <DEFINITION>
A tautomer of uric acid having oxo groups at C-2 and C-8 and a hydroxy group at C-6.

> <STAR>
3

> <IUPAC_NAME>
6-hydroxy-1H-purine-2,8(7H,9H)-dione

> <FORMULA>
C5H4N4O3

> <MASS>
168.110

> <MONOISOTOPIC_MASS>
168.02834

> <CHARGE>
0

> <SMILES>
C1=2NC(NC1=NC(=O)NC2O)=O

> <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

> <PDBECHEM_ACCESSION>
URC

$$$$