View source for Mol:Shikonin

 
  ACD/Labs11200717172D 
 
 21 22  0  0  1  0  0  0  0  0  1 V2000 
   25.2521   -5.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.2521   -6.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.1002   -4.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.1002   -7.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   22.9484   -6.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.5558   -5.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.5558   -6.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.4039   -4.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.4039   -7.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   29.8594   -5.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.7075   -4.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   32.1631   -5.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   31.0112   -4.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.1001   -3.4131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   24.1001   -8.7331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   26.4038   -3.4131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   26.4038   -8.7331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   28.7075   -3.4131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   33.3149   -4.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   32.1632   -6.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  3  1  2  0  0  0  0 
  4  2  2  0  0  0  0 
  5  3  1  0  0  0  0 
  6  4  1  0  0  0  0 
  6  5  2  0  0  0  0 
  9  7  1  0  0  0  0 
 10  8  1  0  0  0  0 
  1  9  1  0  0  0  0 
  2 10  1  0  0  0  0 
  2  1  1  0  0  0  0 
 12 11  1  0  0  0  0 
  7 12  1  0  0  0  0 
  8  7  2  0  0  0  0 
 14 13  2  0  0  0  0 
 11 14  1  0  0  0  0 
  3 15  1  0  0  0  0 
  4 16  1  0  0  0  0 
  9 17  2  0  0  0  0 
 10 18  2  0  0  0  0 
 12 19  1  6  0  0  0 
 13 20  1  0  0  0  0 
 13 21  1  0  0  0  0 
S  SKP  5 
ID	Shikonin 
FORMULA	C16H16O5 
EXACTMASS	288.099773622 
AVERAGEMASS	288.29524 
SMILES	CC(C)=CCC(O)c(c1)c(=O)c(c(O)2)c(c(O)cc2)c(=O)1 
M  END