HMDB0041083
     RDKit          3D
(E)-Raphanusanin
 18 18  0  0  0  0  0  0  0  0999 V2000
    3.4947   -0.1423    0.2894 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1961    0.6820   -0.6840 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8003   -0.4087   -0.8538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3225   -0.1139   -0.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6032   -0.9085   -0.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6321    0.0485    0.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9254    1.1810    0.8139 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5217    1.0575    0.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6799    2.0003    1.1694 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0377   -0.7857    1.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1282    0.6523    0.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0518   -0.8024   -0.4015 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8453   -1.3222   -1.4648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8629   -1.1962   -1.2963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4696   -1.8110    0.3550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3394    0.3242   -0.5009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1743   -0.4454    1.1454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3829    1.9905    1.2805 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