Mol:COX00013

2206 
  CDK    9/16/09,16:58 
 
 26 27  0  0  0  0  0  0  0  0999 V2000 
    2.0000    0.6048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7601    0.3261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5691    0.9139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2601    1.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7601   -0.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9511    0.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2601    1.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5201    0.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8479    2.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6261   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8940   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6261   -2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8940   -2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7601   -2.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8956    2.3665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7117    1.1945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1098    0.4132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    5.3286    0.0152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3463    3.0384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2123    3.1755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    5.3494    2.3095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    5.1630   -0.8639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3571   -0.8639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    5.1630   -2.4839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3571   -2.4839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7601   -3.2939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
  1  6  2  0  0  0  0 
  2  3  1  0  0  0  0 
  2  5  1  0  0  0  0 
  2  6  1  0  0  0  0 
  3  4  1  0  0  0  0 
  3  8  1  0  0  0  0 
  4  7  2  0  0  0  0 
  4  9  1  0  0  0  0 
  5 10  2  0  0  0  0 
  5 11  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7 15  1  0  0  0  0 
  8 16  1  0  0  0  0 
  8 17  1  0  0  0  0 
  8 18  1  0  0  0  0 
  9 19  1  0  0  0  0 
  9 20  1  0  0  0  0 
  9 21  1  0  0  0  0 
 10 12  1  0  0  0  0 
 10 22  1  0  0  0  0 
 11 13  2  0  0  0  0 
 11 23  1  0  0  0  0 
 12 14  2  0  0  0  0 
 12 24  1  0  0  0  0 
 13 14  1  0  0  0  0 
 13 25  1  0  0  0  0 
 14 26  1  0  0  0  0 
S  SKP  6 
NAME	Antipyrine 
ID	COX00013 
FORMULA	C11H12N2O 
EXACTMASS	188.094963016 
AVERAGEMASS	188.22586000000004 
SMILES	[H]C([H])([H])C(=C([H])2)N(C([H])([H])[H])N(C(=O)2)c(c([H])1)c([H])c([H])c([H])c([H])1 
M  END