HMDB0039819
     RDKit          3D
2,4-Dimethyl-2-pentenoic acid
 21 20  0  0  0  0  0  0  0  0999 V2000
    1.3955   -1.4304   -0.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3522   -0.1074   -0.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1683    0.4153    0.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1048   -0.2874   -0.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8698    0.6734   -1.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8466   -0.4937    1.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5271    0.6409    0.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6639    0.1835    0.1093 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4212    1.8681    0.9479 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4368   -1.7203   -0.9324 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0121   -2.2459   -0.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8373   -1.4426   -1.6428 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0532    1.3835    0.7193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9232   -1.2464   -0.6250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6563    1.7301   -0.7036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9595    0.4939   -0.9702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4698    0.5226   -2.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6638    0.2532    1.3319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3294   -1.4909    1.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1680   -0.4219    2.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1235    2.7224    0.5008 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  1  0
  4  6  1  0
  2  7  1  0
  7  8  2  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  4 14  1  0
  5 15  1  0
  5 16  1  0
  5 17  1  0
  6 18  1  0
  6 19  1  0
  6 20  1  0
  9 21  1  0
M  END