Mol:LBF20406HP02

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LBF20406HP02.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 23  0  0  1  0  0  0  0  0999 V2000
   -3.2539    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3654    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6853    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2382    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5725    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9043    0.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3805    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0354    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6229   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7978   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3852   -1.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0930    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0930   -0.4678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8076   -0.8803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0162    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4288   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2539   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6680    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0805    1.0718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0847    0.9351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3654    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2382    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5725    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3805    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21  3  1  0  0  0  0
  3 22  1  0  0  0  0
  4 23  1  0  0  0  0
 24  6  1  4  0  0  0
  1  8  1  0  0  0  0
  2 11  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
  5 12  1  0  0  0  0
 12  6  1  4  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 16  1  4  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
  2 21  2  0  0  0  0
  4 22  2  0  0  0  0
  5 23  2  0  0  0  0
  7 24  2  0  0  0  0
S  SKP  5
ID	LBF20406HP02
FORMULA	C20H32O4
EXACTMASS	336.23005951199997
AVERAGEMASS	336.46567999999996
SMILES	C(CC=CCC=CC=CC(OO)CC=CCCCC(O)=O)CCC
M  END

</pre>

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