HMDB0000718
     RDKit          3D
Isovaleric acid
 17 16  0  0  0  0  0  0  0  0999 V2000
   -1.1041   -1.0778    0.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2871    0.1879    0.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2598    1.3389    0.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7204    0.3330   -0.6970 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6203   -0.8243   -0.6290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2697   -1.8835   -1.1694 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8261   -0.7437    0.0167 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4639   -1.9728    0.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7521   -1.0593   -0.5984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8195   -1.0444    1.1762 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2059    0.1713    1.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0747    1.0227   -0.4193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6858    1.5468    1.2755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7843    2.2247   -0.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3232    1.2553   -0.4826 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    0.4245   -1.6595 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0782    0.1007    0.5245 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  3 12  1  0
  3 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  7 17  1  0
M  END