HMDB0012308
     RDKit          3D
Vanillin
 19 19  0  0  0  0  0  0  0  0999 V2000
   -2.2700   -0.9415   -1.6482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9031    0.2379   -0.9871 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7213    0.3403   -0.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1689   -0.7169   -0.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3592   -0.6118    0.5226 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2815   -1.7283    0.6117 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3368   -1.5760    1.2647 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6201    0.6029    1.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7307    1.6543    1.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4393    1.5374    0.3381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3425    2.6147    0.2447 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3928   -0.9236   -1.7389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7822   -1.0640   -2.6413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0312   -1.8666   -1.0514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0340   -1.6652   -0.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0310   -2.6473    0.1165 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5480    0.6815    1.6906 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9740    2.5791    1.5355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1340    3.4932    0.7007 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  1  0
  6  7  2  0
  5  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10  3  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  4 15  1  0
  6 16  1  0
  8 17  1  0
  9 18  1  0
 11 19  1  0
M  END