HMDB0001318
     RDKit          3D
4-Methylpentanal
 19 18  0  0  0  0  0  0  0  0999 V2000
   -1.9211   -0.6643    0.6785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6279    0.0801    0.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9817    1.3154   -0.3726 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2856   -0.8462   -0.3287 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6119   -0.2731   -0.6964 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4096    0.1891    0.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5069    0.6716    0.2441 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7366   -1.6479    1.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6007   -0.0199    1.2431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3930   -0.8443   -0.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2097    0.3712    1.3662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9995    1.6548   -0.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3133    2.1755   -0.1769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0938    1.1569   -1.4637 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4502   -1.7373    0.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2120   -1.1828   -1.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5368    0.5480   -1.4342 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1953   -1.0807   -1.2032 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    0.1338    1.4772 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  3 12  1  0
  3 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  0
  5 18  1  0
  6 19  1  0
M  END