Mol:LBF10204SC01

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LBF10204SC01.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 12 11  0  0  0  0  0  0  0  0999 V2000
    1.6761   -0.5603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2894   -0.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -0.5411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2894    0.6978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9061   -0.5603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3561   -0.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1664   -0.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6889   -0.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4052   -0.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9539   -0.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4489   -0.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0044   -0.6497    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
  2  4  2  0  0  0  0
  1  5  2  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  2  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
S  SKP  5
ID	LBF10204SC01
FORMULA	C10H16O2
EXACTMASS	168.11502975599998
AVERAGEMASS	168.23283999999998
SMILES	CCCC=CCCC=CC(O)=O
M  END

</pre>

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