HMDB0001864
     RDKit          3D
2-Ketohexanoic acid
 19 18  0  0  0  0  0  0  0  0999 V2000
   -2.7860    0.7440    0.6482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8162    0.1173   -0.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4372   -0.0479    0.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4442   -0.6435   -0.7723 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8366   -0.8596   -0.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1852   -2.0565   -0.1287 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.2387   -0.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4296    1.4174   -0.3394 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0974   -0.0032    0.2073 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6321    0.3321    1.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7003    1.8614    0.6636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8163    0.4373    0.3333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2295   -0.9078   -0.5313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8297    0.6967   -1.2611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034    0.9199    0.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4891   -0.7365    1.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0121   -1.6112   -1.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5034    0.0203   -1.6713 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4468    0.0812    1.1368 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  4 18  1  0
  9 19  1  0
M  END