HMDB0062605
     RDKit          3D
Methyl Phenylglyoxalate
 20 20  0  0  0  0  0  0  0  0999 V2000
    4.1650    0.5281   -0.2074 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1060   -0.3652    0.0559 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7713    0.0993   -0.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6860    1.3000   -0.3932 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6648   -0.8022    0.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9420   -2.0150    0.5448 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7143   -0.4239    0.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6984   -1.3826    0.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0431   -1.1191    0.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4865    0.1343   -0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5601    1.1081   -0.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1869    0.8071   -0.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6315    0.3422   -1.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8122    1.5933   -0.2511 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9400    0.3891    0.5825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3686   -2.3781    0.6749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7645   -1.9133    0.5741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5462    0.3839   -0.0600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8626    2.1156   -0.5660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4876    1.5984   -0.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  8 16  1  0
  9 17  1  0
 10 18  1  0
 11 19  1  0
 12 20  1  0
M  END