Mol:LBF18108HO05

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LBF18108HO05.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 21  0  0  1  0  0  0  0  0999 V2000
   -2.0376    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8915    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5172    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3668    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3668    2.1605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8915    2.1168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8139    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2264    1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8139    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2264   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8139   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2264   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8139   -2.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0376    2.5007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0376    1.0717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6881    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2755    1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6881    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2755   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6881   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5172    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  4  0  0  0
  2  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  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
 13 12  1  4  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 21  1  0  0  0  0
 17 18  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
  3 22  2  0  0  0  0
S  SKP  5
ID	LBF18108HO05
FORMULA	C18H32O4
EXACTMASS	312.23005951199997
AVERAGEMASS	312.44428
SMILES	CCCCCCC(=O)C=CC(O)CCCCCCCC(O)=O
M  END

</pre>

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