Mol:LBF18109OX01

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LBF18109OX01.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 21  0  0  1  0  0  0  0  0999 V2000
   -4.2532    1.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0795    1.7744    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1280    1.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4092    1.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6878    1.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0795    2.5121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1280    2.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8407    1.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2532    2.4889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2532    1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3377    1.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7502    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3377    0.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7502   -0.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3377   -1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7502   -1.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3377   -2.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6421    1.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2296    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4047    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9922    0.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6878    1.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 22  1  0  0  0  0
  2  6  1  4  0  0  0
  3  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 17  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
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 21  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  5 22  2  0  0  0  0
S  SKP  5
ID	LBF18109OX01
FORMULA	C18H32O4
EXACTMASS	312.23005951199997
AVERAGEMASS	312.44428
SMILES	CCCCCC(O)C(=O)CC=CCCCCCCCC(O)=O
M  END

</pre>

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