HMDB0041280
     RDKit          3D
Raphanusamic acid
 14 14  0  0  0  0  0  0  0  0999 V2000
   -0.9718   -1.7613    0.8940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2368   -0.7633    0.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5386   -0.2483    0.0646 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1283   -0.1120   -0.5596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0533    1.3495   -0.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3070    1.4844    0.8955 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9704   -0.1644    0.5863 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3271   -0.7685    1.2579 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0821   -0.7600   -0.3205 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9808    0.0204    0.9287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4073   -0.2318   -1.6512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9920    1.7587    0.0902 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2934    1.8701   -1.2386 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3289   -1.6736   -0.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9  4  1  0
  3 10  1  0
  4 11  1  0
  5 12  1  0
  5 13  1  0
  9 14  1  0
M  END