HMDB0002222
     RDKit          3D
3-Methylphenylacetic acid
 21 21  0  0  0  0  0  0  0  0999 V2000
   -2.7478   -1.1572    0.8436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262   -0.2414    0.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0763    1.0382   -0.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1046    1.8628   -0.6957 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1867    1.4191   -0.8768 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5505    0.1300   -0.5028 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9473   -0.3328   -0.7051 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7716   -0.0388    0.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375    0.5312    1.4529 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1162   -0.3545    0.5779 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.6704    0.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6289   -0.6200    1.1869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2144   -1.7011    1.6529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9723   -1.9185    0.0640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0896    1.3800    0.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3589    2.8649   -0.9939 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9662    2.0599   -1.3179 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3353    0.1268   -1.6337 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9496   -1.4497   -0.8663 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4597   -1.2652    0.8358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1685   -1.6633    0.3430 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
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  6 11  2  0
 11  2  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  3 15  1  0
  4 16  1  0
  5 17  1  0
  7 18  1  0
  7 19  1  0
 10 20  1  0
 11 21  1  0
M  END