Mol:LBF12000OX02

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LBF12000OX02.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 15 14  0  0  0  0  0  0  0  0999 V2000
    1.4289   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 15  2  0  0  0  0
S  SKP  5
ID	LBF12000OX02
FORMULA	C12H22O3
EXACTMASS	214.15689457
AVERAGEMASS	214.30128
SMILES	CCCC(=O)CCCCCCCC(O)=O
M  END

</pre>

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