Mol:LBF16107SC01

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LBF16107SC01.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 18 17  0  0  0  0  0  0  0  0999 V2000
    3.6293   -0.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2426   -0.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9576   -0.5823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2426    0.6566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0243   -0.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3918   -0.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7401   -0.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0773   -0.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4407   -0.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1932   -0.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7707   -0.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4871   -0.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9807   -0.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5307   -0.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1357   -0.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7352   -0.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3594   -0.6263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9576   -0.0584    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  1  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
 10 11  1  0  0  0  0
 11 12  2  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
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
S  SKP  5
ID	LBF16107SC01
FORMULA	C16H30O2
EXACTMASS	254.22458020399998
AVERAGEMASS	254.4082
SMILES	CCCCCCC=CCCCCCCCC(O)=O
M  END

</pre>

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