Mol:LBF18307TX01

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Revision as of 09:00, 7 October 2008

LBF18307TX01.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 24  0  0  0  0  0  0  0  0999 V2000
    8.0622   -2.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1962   -2.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.6603    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282   -3.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0622    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7942   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5000    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  6  0  0  0
  3  4  1  0  0  0  0
  1  5  1  0  0  0  0
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  4 13  2  0  0  0  0
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  7 19  1  6  0  0  0
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 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
  1 20  1  1  0  0  0
 16 21  1  6  0  0  0
 18 22  1  4  0  0  0
 15 23  1  0  0  0  0
 15 24  2  0  0  0  0
S  SKP  5
ID	LBF18307TX01
FORMULA	C18H30O6
EXACTMASS	342.204238692
AVERAGEMASS	342.42719999999997
SMILES	[C@@H]([C@@H](CC=CCC(O)=O)1)(C=C[C@H](O)CCCCC)OC(O)C[C@@H]1O
M  END

</pre>

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