HMDB0041084
     RDKit          3D
Raphanusamide
 18 18  0  0  0  0  0  0  0  0999 V2000
    3.3590    0.1813    0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9933    0.0299   -0.2254 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9753    0.3336    0.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2631    0.0120    0.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5246    0.2431    1.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5877    0.0710   -0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0647   -0.8786   -0.9577 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6451   -0.6453   -0.9798 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931   -1.0372   -2.1873 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7368   -0.3914    0.8831 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5655    1.2643    0.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9057   -0.0722   -0.9163 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1104    0.8213    1.6017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6302   -0.4790    1.8688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5434    1.2894    1.4446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6913    1.0450   -0.5714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5741   -0.1806    0.3871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5151   -1.6067   -1.5404 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  1  0
  7  8  1  0
  8  9  2  0
  8  4  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  5 14  1  0
  5 15  1  0
  6 16  1  0
  6 17  1  0
  7 18  1  0
M  END