Mol:LBF18302HP02

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LBF18302HP02.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 24  0  0  1  0  0  0  0  0999 V2000 
   -3.2417    1.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7173    1.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9640    1.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4982    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3240    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9069    1.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9069    0.5894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1925    0.1769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4586    1.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4586    0.5894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2559    0.1769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0908    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5032    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0908    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5032   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0908   -1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5032   -2.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0908   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8291    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2417    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2417    2.1435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8291    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7173    1.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4982    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3240    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1 23  1  0  0  0  0 
 25 24  1  4  0  0  0 
  2  6  1  0  0  0  0 
  6  3  1  4  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  3  9  1  0  0  0  0 
  9  4  1  4  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 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 
 18 17  1  4  0  0  0 
 18 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 19 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  2 23  2  0  0  0  0 
  4 24  2  0  0  0  0 
  5 25  2  0  0  0  0 
S  SKP  5 
ID	LBF18302HP02 
FORMULA	C19H32O6 
EXACTMASS	356.219888756 
AVERAGEMASS	356.45378 
SMILES	CC=CC(OO)CC(OO)C=CC=CCCCCCCCC(=O)OC 
M  END
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