HMDB0060003
     RDKit          3D
Isovanillic acid
 20 20  0  0  0  0  0  0  0  0999 V2000
   -3.2251    0.9597    0.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3894   -0.0531   -0.3925 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0311   -0.1324   -0.1887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3551    0.8196    0.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9984    0.7589    0.7527 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6837   -0.3132    0.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1115   -0.4001    0.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7465   -1.3546   -0.0664 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7807    0.5475    1.1395 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9988   -1.2765   -0.5307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3558   -1.2017   -0.7367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0396   -2.1806   -1.4818 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2350    0.4990    0.2471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2719    1.8504   -0.5751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8691    1.2236    1.1202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8844    1.6727    0.9770 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4980    1.5172    1.3242 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3416    1.2952    0.7656 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5352   -2.1110   -0.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0380   -2.1206   -1.6306 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
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  6 10  1  0
 10 11  2  0
 11 12  1  0
 11  3  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  4 16  1  0
  5 17  1  0
  9 18  1  0
 10 19  1  0
 12 20  1  0
M  END