HMDB0000842
     RDKit          3D
Quinaldic acid
 20 21  0  0  0  0  0  0  0  0999 V2000
    4.0060   -1.0174    0.9887 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0131   -0.3876    1.4334 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0799    0.3066    2.6318 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7519   -0.3649    0.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6503   -1.0455   -0.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4521   -1.0357   -1.2093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6225   -0.3325   -0.6918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8349   -0.2723   -1.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9253    0.4207   -0.8401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7473    1.0764    0.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5545    1.0516    1.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4918    0.3424    0.5133 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6832    0.2949    1.1507 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5009    1.2460    2.5673 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4958   -1.5863   -0.8812 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3321   -1.5504   -2.1408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9413   -0.7973   -2.2714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8798    0.4658   -1.3471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5684    1.6275    0.7803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3995    1.5580    1.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  4  1  0
 12  7  1  0
  3 14  1  0
  5 15  1  0
  6 16  1  0
  8 17  1  0
  9 18  1  0
 10 19  1  0
 11 20  1  0
M  END