Mol:LBF12000HO02

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LBF12000HO02.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 15 14  0  0  1  0  0  0  0  0999 V2000
    1.7389   -0.1210    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3218   -0.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9489   -0.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5360   -0.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9543    0.6462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1559   -0.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5729   -0.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0102   -0.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5932   -0.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1761   -0.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7591   -0.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3421   -0.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9527   -0.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5360   -0.6219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7389    0.7040    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
  1 15  1  4  0  0  0
S  SKP  5
ID	LBF12000HO02
FORMULA	C12H24O3
EXACTMASS	216.172544634
AVERAGEMASS	216.31716
SMILES	CCCCCCCCCC(O)CC(O)=O
M  END

</pre>

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