Mol:LBF12000BC13

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LBF12000BC13.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 15 14  0  0  1  0  0  0  0  0999 V2000
   -4.3322    1.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9566    1.6015    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5484    1.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9566    2.6705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1752    1.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3039    1.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8928    0.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3039    0.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8928   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3039   -1.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8928   -1.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3039   -2.6705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9211    1.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3322    2.3135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3322    0.8895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  4  0  0  0
  3  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2 12  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
 11 12  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
S  SKP  5
ID	LBF12000BC13
FORMULA	C13H26O2
EXACTMASS	214.19328007599998
AVERAGEMASS	214.34433999999996
SMILES	CCCCCCCCC(C)CCC(O)=O
M  END

</pre>

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