Marvin  10100715032D          

 12 13  0  0  0  0            999 V2000
    0.7145   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4991   -0.8050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4991    0.5299    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9840   -0.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  2  0  0  0  0
  2  8  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4 10  2  0  0  0  0
  3  5  1  0  0  0  0
  5 12  2  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
> <ID>
CHEBI:17775

> <NAME>
7,9-dihydro-1H-purine-2,6,8(3H)-trione

> <DEFINITION>
An oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:46455; CHEBI:9885

> <SYNONYM>
URIC ACID; Uric acid; urate; Urate; purine-2,6,8(1H,3H,9H)-trione; 2,6,8-trioxypurine; 2,6,8-trioxopurine

> <IUPAC_NAME>
7,9-dihydro-1H-purine-2,6,8(3H)-trione

> <FORMULA>
C5H4N4O3

> <MASS>
168.11042

> <MONOISOTOPIC_MASS>
168.02834

> <CHARGE>
0

> <SMILES>
O=c1[nH]c2[nH]c(=O)[nH]c(=O)c2[nH]1

> <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>
156158

> <CAS_REGISTRY_NUMBER>
69-93-2

> <GMELIN_REGISTRY_NUMBER>
241332

> <REAXYS_REGISTRY_NUMBER>
156158

> <DRUGBANK_ACCESSION>
DB01696

> <KEGG_COMPOUND_ACCESSION>
C00366

> <KNAPSACK_ACCESSION>
C00007301

> <METACYC_ACCESSION>
URATE

> <NIST_CHEMISTRY_WEBBOOK>
69-93-2

> <PDBECHEM_ACCESSION>
URC

> <WIKIPEDIA_ACCESSION>
Uric_acid

> <PUBMED_CITATION>
22770225

$$$$