Mol:LBF13000BC03

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Copyright: ARM project http://www.metabolome.jp/

16 15  0  0  0  0  0  0  0  0999 V2000 
   3.2064   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9211    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.6355   -0.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9211    1.0298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4918    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7773   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0629    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3484   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  -1.0756   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  -3.9236   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6355    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2064   -1.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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13 14  1  0 
14 15  1  0 
 1 16  1  0 

S SKP 6 ID LBF13000BC03 FORMULA C14H28O2 EXACTMASS 228.20893013999998 AVERAGEMASS 228.37091999999998 SMILES CCCCCCCCCCCC(C)C(O)=O AUTODRAW FALSE M END