Mol:LBF12000BC11

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LBF12000BC11.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 15 14  0  0  1  0  0  0  0  0999 V2000
   -0.4250    1.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4250    2.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9871    1.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6770    2.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5019    2.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9144    1.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0414    1.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4539    0.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0414   -0.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7839   -0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3714   -1.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4539   -2.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5746    1.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9871    2.0050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9871    0.5761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  4  0  0  0
  1  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  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
 12 11  1  4  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
S  SKP  5
ID	LBF12000BC11
FORMULA	C13H26O2
EXACTMASS	214.19328007599998
AVERAGEMASS	214.34433999999996
SMILES	CCCCC(C)CCCCCCC(O)=O
M  END

</pre>

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