Mol:LBF11109BC01

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LBF11109BC01.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 14 13  0  0  1  0  0  0  0  0999 V2000
   -0.7418    0.3572    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0913    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6755    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2028    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7418   -0.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7903    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2028    1.0717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2028   -0.3572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6309   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1941   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6066   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4316   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8441    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6755    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
 14  2  1  0  0  0  0
  1  5  1  4  0  0  0
  3  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  1  9  1  0  0  0  0
  4 13  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
  3 14  2  0  0  0  0
S  SKP  5
ID	LBF11109BC01
FORMULA	C12H22O2
EXACTMASS	198.16197994799998
AVERAGEMASS	198.30187999999998
SMILES	CCCCCCC(C)CC=CC(O)=O
M  END

</pre>

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