CDK     1028232202

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.1435   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  4  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  8  2  0  0  0  0 
  6  9  1  0  0  0  0 
  7 10  2  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 11 13  1  0  0  0  0 
  8 10  1  0  0  0  0 
M  END
> <ID>
CHEBI:199288

> <NAME>
Hypnosin

> <STAR>
2

> <IUPAC_NAME>
3-acetamidopyrazine-2-carboxylic acid

> <FORMULA>
C7H7N3O3

> <MASS>
181.151

> <MONOISOTOPIC_MASS>
181.04874

> <CHARGE>
0

> <SMILES>
O=C(O)C1=NC=CN=C1NC(=O)C

> <INCHI>
InChI=1S/C7H7N3O3/c1-4(11)10-6-5(7(12)13)8-2-3-9-6/h2-3H,1H3,(H,12,13)(H,9,10,11)

> <INCHIKEY>
DFHJWBVMALKEHL-UHFFFAOYSA-N

$$$$