Mol:LBF20107PG08

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Copyright: ARM project http://www.metabolome.jp/

25 25  0  0  0  0  0  0  0  0999 V2000 
   2.0614    0.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7761    0.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.4906    0.4090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7761    1.6466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3467    0.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6321    0.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0823    0.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7969    0.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5089    0.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2210    0.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0056    0.6640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  -1.5064   -0.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7920   -0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   0.6321   -0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3442   -0.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0563   -0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7683   -0.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.4804   -0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2606    1.4487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2597   -1.4531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0799   -1.6466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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11 23  1  6 
13 24  2  0 
17 25  1  6 

S SKP 6 ID LBF20107PG08 FORMULA C20H32O4 EXACTMASS 336.23005951199997 AVERAGEMASS 336.46567999999996 SMILES C(CC[C@H](O)C=C[C@H]([C@H]1CCCCCCC(O)=O)C=CC(=O)1)CC AUTODRAW FALSE M END