Marvin  10050915052D          

 17 18  0  0  0  0            999 V2000
   -0.7145    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    1.0083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3 16  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 17  2  0  0  0  0
 16  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
> <ID>
CHEBI:28370

> <NAME>
6-pyruvoyl-7,8-dihydropterin

> <DEFINITION>
A 7,8-dihydropterin compound having an amino substituent at the 2-position, an oxo substituent at the 4-position and a pyruvoyl group at the 6-position.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:1006; CHEBI:19460

> <SYNONYM>
2-amino-4-oxo-6-(1',2'-dioxopropyl)-7,8-dihydropteridine

> <IUPAC_NAME>
1-(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)propane-1,2-dione

> <FORMULA>
C9H9N5O3

> <MASS>
235.19950

> <MONOISOTOPIC_MASS>
235.07054

> <CHARGE>
0

> <SMILES>
CC(=O)C(=O)C1=Nc2c(NC1)nc(N)[nH]c2=O

> <INCHI>
InChI=1S/C9H9N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2H2,1H3,(H4,10,11,13,14,17)

> <INCHIKEY>
WAIMTWRHMGIREN-UHFFFAOYSA-N

$$$$