Mol:LBF12000BC03

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LBF12000BC03.png

 
 
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 16 15  0  0  1  0  0  0  0  0999 V2000 
   -2.7019    1.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7631    1.0704    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.7631    0.3801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4451    1.0704    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    1.4451    0.3801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0619    1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4744    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2994    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4355    1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0230    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4355   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0230   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4355   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2894    1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7019    1.7862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7019    0.3572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  1  4  0  0  0 
  4  5  1  4  0  0  0 
  2  6  1  0  0  0  0 
  4  8  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  1  9  1  0  0  0  0 
  2 13  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
  4 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 14 16  1  0  0  0  0 
S  SKP  5 
ID	LBF12000BC03 
FORMULA	C14H28O2 
EXACTMASS	228.20893013999998 
AVERAGEMASS	228.37091999999998 
SMILES	CCCCCCC(C)CCCC(C)C(O)=O 
M  END
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