Mol:LBF18206EO01

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LBF18206EO01.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 22  0  0  1  0  0  0  0  0999 V2000
   -5.2380    1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6561    1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8473    1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1953    2.1577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4085    1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8210    0.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8210   -0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4085   -1.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8210   -2.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4085   -2.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2380    0.6999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2380    2.1286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8256    2.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7831    1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8473    1.4434    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
 22  7  1  4  0  0  0
  3  9  1  4  0  0  0
  4  9  1  4  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 16 15  1  4  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  6 21  2  0  0  0  0
  8 22  2  0  0  0  0
S  SKP  5
ID	LBF18206EO01
FORMULA	C19H32O3
EXACTMASS	308.23514489
AVERAGEMASS	308.45558
SMILES	C(CC=CCC=CCCCCCCCC(=O)OC)(O1)C(CC)1
M  END

</pre>

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