Mol:LBF15000BC03

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LBF15000BC03.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 19 18  0  0  1  0  0  0  0  0999 V2000 
   -3.3928    1.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4540    1.4276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -1.4540    0.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7541    1.4276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.7541    0.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1265    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7140    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1265    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7140   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1265   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7140   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6291    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2166    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6084    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9803    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3928    2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3928    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3715    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7840    1.0717    0.0000 C   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 
  1  6  1  0  0  0  0 
  2 11  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
  2 12  1  0  0  0  0 
  4 14  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 15 16  2  0  0  0  0 
 15 17  1  0  0  0  0 
  4 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
 18 19  1  0  0  0  0 
S  SKP  5 
ID	LBF15000BC03 
FORMULA	C17H34O2 
EXACTMASS	270.255880332 
AVERAGEMASS	270.45065999999997 
SMILES	CCCCCCCC(C)CCCC(C)CCC(O)=O 
M  END
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