HMDB0002340
     RDKit          3D
2-Methylbenzoic acid
 18 18  0  0  0  0  0  0  0  0999 V2000
    0.9682   -1.7304    0.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0297   -0.6637    0.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3638   -1.0075   -0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3603   -0.0644   -0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0478    1.2726    0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7194    1.6202    0.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2929    0.6700    0.2218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6872    1.0301    0.3657 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9846    2.2565    0.4624 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7441    0.1403    0.4079 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4945   -1.6775    1.1421 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4687   -2.7194    0.1570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7383   -1.6750   -0.6421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6822   -2.0439   -0.1068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4113   -0.3235   -0.1642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7977    2.0522    0.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3965    2.6553    0.2719 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4300    0.2080   -0.3374 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  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  7  2  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  4 15  1  0
  5 16  1  0
  6 17  1  0
 10 18  1  0
M  END