Mol:LBF237nnPG02

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LBF237nnPG02.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 28 29  0  0  0  0  0  0  0  0999 V2000
    6.6359    2.0114    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.1475   -4.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0135   -3.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0135   -2.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9722    2.6501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1880    4.0818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1475    0.9182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -3.4973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1372    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
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  5 24  1  1  0  0  0
  3 25  1  1  0  0  0
  1  6  1  1  0  0  0
  2  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  9  2  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
  7 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  1  0  0  0
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 18 19  2  0  0  0  0
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 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  2  0  0  0  0
S  SKP  5
ID	LBF237nnPG02
FORMULA	C23H32O5
EXACTMASS	388.224974134
AVERAGEMASS	388.49718
SMILES	C(c(c2)cccc2)C[C@@H](C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](C[C@H](O)1)O)O
M  END

</pre>

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