HMDB0000333
     RDKit          3D
Isohomovanillic acid
 23 23  0  0  0  0  0  0  0  0999 V2000
    3.8480    0.5214    0.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9830   -0.5257   -0.1568 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6131   -0.3160   -0.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0596    0.9412    0.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3157    1.0751    0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1388    0.0117   -0.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5845    0.2438   -0.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2613    0.0160    0.9256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6925   -0.3447    1.9874 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6352    0.2115    0.9801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5519   -1.2124   -0.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8098   -1.3828   -0.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3678   -2.6125   -0.7864 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8538    1.2238   -0.7156 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8689    0.0823    0.2961 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5212    1.1026    1.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7188    1.7429    0.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7568    2.0502    0.2170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7703    1.3041   -0.6462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0888   -0.4120   -1.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0247    1.1271    0.7313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1737   -2.0434   -0.8244 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3503   -2.8041   -0.7646 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  1  0
  8  9  2  0
  8 10  1  0
  6 11  1  0
 11 12  2  0
 12 13  1  0
 12  3  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  4 17  1  0
  5 18  1  0
  7 19  1  0
  7 20  1  0
 10 21  1  0
 11 22  1  0
 13 23  1  0
M  END