HMDB0001398
     RDKit          3D
Guaiacol
 17 17  0  0  0  0  0  0  0  0999 V2000
   -2.3932    0.9830   -0.5466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7638   -0.1930   -0.0709 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3784   -0.1498    0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3814    0.9388   -0.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7678    0.9600   -0.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3817   -0.1835    0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6698   -1.3102    0.6111 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2976   -1.2781    0.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4449   -2.3974    0.8321 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4835    1.7597    0.2378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9403    1.3398   -1.4797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4584    0.7099   -0.8085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1231    1.8265   -0.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3255    1.8596   -0.4802 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4644   -0.2152    0.3614 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1388   -2.2136    0.9754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4415   -2.4365    0.7653 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  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8  3  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  4 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  9 17  1  0
M  END