Mol:LBF14110SC01

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LBF14110SC01.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 16 15  0  0  0  0  0  0  0  0999 V2000
    3.2787   -0.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8919   -0.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6069   -0.5466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8919    0.6923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6737   -0.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0412   -0.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7267   -0.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0901   -0.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5438   -0.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2011   -0.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8734   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5719   -0.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2416   -0.6538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9373   -0.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6069   -0.6923    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
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  1  5  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
S  SKP  5
ID	LBF14110SC01
FORMULA	C14H26O2
EXACTMASS	226.19328007599998
AVERAGEMASS	226.35504
SMILES	CCCCCCCCCC=CCCC(O)=O
M  END

</pre>

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