Mol:LBF18207MO01

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LBF18207MO01.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 22  0  0  1  0  0  0  0  0999 V2000
   -4.7188    1.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4869    1.1666    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   -2.4287   -0.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3063    1.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7188    1.8811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7188    0.4522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7742    1.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1867    0.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7742   -0.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1867   -0.9767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1867   -2.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8518    1.9930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5662    2.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5354    1.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1728    1.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 22  1  0  0  0  0
  3 23  1  0  0  0  0
  5  4  1  4  0  0  0
  2  6  1  4  0  0  0
  1  7  1  0  0  0  0
  2 10  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
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  5 14  1  0  0  0  0
 11 19  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
 18 19  1  0  0  0  0
  5 20  1  0  0  0  0
 20 21  1  0  0  0  0
  3 22  2  0  0  0  0
  4 23  2  0  0  0  0
S  SKP  5
ID	LBF18207MO01
FORMULA	C19H34O4
EXACTMASS	326.24570957599997
AVERAGEMASS	326.47086
SMILES	CCCCCC(O)C=CC=CC(OC)CCCCCCC(O)=O
M  END

</pre>

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