Mol:LBF12000BC01

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LBF12000BC01.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 15 14  0  0  1  0  0  0  0  0999 V2000
   -2.4661   -0.2076    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.0491    0.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6320   -0.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8831    0.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3001   -0.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7170    0.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1341   -0.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4489    0.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0319   -0.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6149    0.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1980   -0.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9142    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6320   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9130    1.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4661   -1.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  4  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  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
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  1 15  1  4  0  0  0
S  SKP  5
ID	LBF12000BC01
FORMULA	C13H26O2
EXACTMASS	214.19328007599998
AVERAGEMASS	214.34433999999996
SMILES	CCC(C)CCCCCCCCC(O)=O
M  END

</pre>

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