Mol:LBF15111BC01

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LBF15111BC01.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 18 17  0  0  0  0  0  0  0  0999 V2000
    0.1968   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1381   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3224   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6675   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8060    1.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3935    1.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5685    1.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1561    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6689    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0814   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9063   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3188   -1.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4486   -1.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8611   -0.3572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8611   -1.7861    0.0000 O   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
  4  1  2  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5 15  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  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
  3 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
S  SKP  5
ID	LBF15111BC01
FORMULA	C16H30O2
EXACTMASS	254.22458020399998
AVERAGEMASS	254.4082
SMILES	CC(C)CCCCCCCCC=CCCC(O)=O
M  END

</pre>

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