HMDB0000522
     RDKit          3D
3-Methylglutaconic acid
 18 17  0  0  0  0  0  0  0  0999 V2000
   -0.7065   -1.7463    0.3997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0652   -0.3827    0.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9037    0.6154    0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3418    0.4232    0.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9349   -0.6731    0.2149 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2046    1.5225   -0.0578 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3977   -0.3381    0.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0706    0.9376    0.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5860    2.0619   -0.0043 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4871    0.9095    0.1820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2808   -1.8404    1.3186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2292   -2.0328   -0.5339 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1009   -2.5374    0.4900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5472    1.6381   -0.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9917    2.3065   -0.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -0.7241    1.3251 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8402   -1.1010   -0.4264 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0488    0.9611   -0.6385 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  2  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  6 15  1  0
  7 16  1  0
  7 17  1  0
 10 18  1  0
M  END