HMDB0034323
     RDKit          3D
S-Allylcysteine
 21 20  0  0  0  0  0  0  0  0999 V2000
    4.0813   -0.1562   -0.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9289    0.1597    0.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0948   -0.8613    0.7766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4883   -0.9295   -0.0424 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4707    0.5717    0.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7932    0.3617   -0.5755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6309    1.5146   -0.4630 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4169   -0.8418    0.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8012   -1.9337    0.0273 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6542   -0.8074    0.6453 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7029    0.5806   -0.9448 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4230   -1.1860   -0.4305 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5884    1.2019    0.0851 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5683   -1.8624    0.6378 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9951   -0.7019    1.8702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    0.8454    1.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0165    1.4437   -0.3414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5751    0.1812   -1.6495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0056    1.6045    0.5097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3845    1.4429   -1.1791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4971   -0.6278    0.1202 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  5 16  1  0
  5 17  1  0
  6 18  1  0
  7 19  1  0
  7 20  1  0
 10 21  1  0
M  END