HMDB0039638
     RDKit          3D
Brassilexin
 18 20  0  0  0  0  0  0  0  0999 V2000
   -2.6365    0.4421   -0.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2929   -0.8645   -0.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9638   -1.2299   -0.3075 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0629   -0.3363   -0.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3024    0.9753    0.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6328    1.3426    0.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8287    1.6671    0.3942 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8869    0.8195    0.2635 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5814    0.6347    0.3040 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6880   -1.0058   -0.0404 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252   -1.3890   -0.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4640   -0.4447   -0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6899    0.7103   -0.0226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0260   -1.6351   -0.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6559   -2.2619   -0.5128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8974    2.3648    0.4143 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9408    2.6741    0.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2197   -2.4631   -0.4201 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
  6  1  1  0
 12  8  2  0
 12  4  1  0
  1 13  1  0
  2 14  1  0
  3 15  1  0
  6 16  1  0
  7 17  1  0
 11 18  1  0
M  END