Mol:PBX00047

 
 OpenBabel10130914012D 
 
 14 16  0  0  0  0  0  0  0  0999 V2000 
  684.8480-1279.9230    0.0000 C   0  0  0  0  0 
  396.6542-1113.5341    0.0000 C   0  0  0  0  0 
  396.6542 -780.7563    0.0000 C   0  0  0  0  0 
  973.0421-1113.5341    0.0000 C   0  0  0  0  0 
  973.0421 -780.7563    0.0000 C   0  0  0  0  0 
  684.8481 -614.3675    0.0000 C   0  0  0  0  0 
 1220.3441 -558.0847    0.0000 C   0  0  0  0  0 
 1084.9912 -254.0770    0.0000 C   0  0  0  0  0 
  754.0366 -288.8617    0.0000 N   0  0  0  0  0 
 1545.8499 -627.2731    0.0000 C   0  0  0  0  0 
 1793.1519 -404.6014    0.0000 S   0  0  0  0  0 
 2081.3457 -570.9905    0.0000 C   0  0  0  0  0 
 2012.1573 -896.4960    0.0000 C   0  0  0  0  0 
 1681.2026 -931.2807    0.0000 N   0  0  0  0  0 
  1  2  1  0  0  0 
  1  4  2  0  0  0 
  2  3  2  0  0  0 
  3  6  1  0  0  0 
  4  5  1  0  0  0 
  5  6  2  0  0  0 
  5  7  1  0  0  0 
  6  9  1  0  0  0 
  7  8  2  0  0  0 
  7 10  1  0  0  0 
  8  9  1  0  0  0 
 10 11  1  0  0  0 
 10 14  2  0  0  0 
 11 12  1  0  0  0 
 12 13  2  0  0  0 
 13 14  1  0  0  0 
S  SKP  6 
NAME	Camalexin 
ID	PBX00047 
FORMULA	C11H8N2S 
EXACTMASS	200.040818956 
AVERAGEMASS	200.2607 
SMILES	c(c3)cc(n2)c(c3)c(c2)c(n1)scc1 
M  END