Mol:LBF12000BC04

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Revision as of 09:00, 7 October 2008

LBF12000BC04.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 16 15  0  0  1  0  0  0  0  0999 V2000
   -3.3646   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4259   -0.0014    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4259   -0.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7823   -0.0014    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7823   -0.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6009    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1884   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6366   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9521    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3997    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8122   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0983    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6858   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8608   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  4  0  0  0
  4  5  1  4  0  0  0
  2  6  1  0  0  0  0
  4  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  4 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
S  SKP  5
ID	LBF12000BC04
FORMULA	C14H28O2
EXACTMASS	228.20893013999998
AVERAGEMASS	228.37091999999998
SMILES	CCCCC(C)CCCC(C)CCC(O)=O
M  END

</pre>

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