Mol:LBF11000BC10

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LBF11000BC10.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 14 13  0  0  0  0  0  0  0  0999 V2000
   -3.0525    1.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2629    1.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2629    2.9858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6414    1.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0525    2.7101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0525    1.2861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2012    1.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6122    1.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2012    0.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6122   -0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2012   -0.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6122   -1.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2012   -2.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6122   -2.9858    0.0000 C   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
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  2  7  1  0  0  0  0
  4 14  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
S  SKP  5
ID	LBF11000BC10
FORMULA	C12H24O2
EXACTMASS	200.17763001199998
AVERAGEMASS	200.31776
SMILES	CC(C)CCCCCCCCC(O)=O
M  END

</pre>

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