Mol:LBF20000HO02

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Revision as of 09:00, 7 October 2008

LBF20000HO02.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 22  0  0  1  0  0  0  0  0999 V2000
    4.2085   -0.0481    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    1.2935   -0.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7106   -0.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1276   -0.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3981   -0.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.0057   -0.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2085    0.7769    0.0000 O   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
  3  5  2  0  0  0  0
  1  6  1  0  0  0  0
  6  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
 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
 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
 21 22  1  0  0  0  0
  1 23  1  4  0  0  0
S  SKP  5
ID	LBF20000HO02
FORMULA	C20H40O3
EXACTMASS	328.297745146
AVERAGEMASS	328.5298
SMILES	OC(CCCCCCCCCCCCCCCCC)CC(O)=O
M  END

</pre>

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