Mol:Alkannin

 
  ACD/Labs11200717152D 
 
 21 22  0  0  1  0  0  0  0  0  1 V2000 
   25.2521   -5.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.2521   -6.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.1002   -4.7591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.1002   -7.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.9484   -5.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.9484   -6.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.5558   -5.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.5558   -6.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.4039   -4.7591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.4039   -7.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   29.8594   -5.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.7075   -4.7591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   32.1631   -5.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   31.0112   -4.7591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.1001   -3.4291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   24.1001   -8.7491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   26.4038   -3.4291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   26.4038   -8.7491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   28.7075   -3.4291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   33.3149   -4.7591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   32.1631   -6.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  3  1  1  0  0  0  0 
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  5  3  2  0  0  0  0 
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  6  5  1  0  0  0  0 
  9  7  1  0  0  0  0 
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  1  9  1  0  0  0  0 
  2 10  1  0  0  0  0 
  2  1  2  0  0  0  0 
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  7 12  1  0  0  0  0 
  8  7  2  0  0  0  0 
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  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  1  0  0  0 
 13 20  1  0  0  0  0 
 13 21  1  0  0  0  0 
S  SKP  5 
ID	Alkannin 
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