Mol:LBF20406HP10

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

24 23  0  0  0  0  0  0  0  0999 V2000 
   2.1275    0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8421    1.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5566    0.6091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8421    1.8465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4129    1.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6984    0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0136    1.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8386    1.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5530    0.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2674    1.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0924    1.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5799    0.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0638   -0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2388   -0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5244   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8099   -0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0151   -0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7295   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4440   -0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1559   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8679   -0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5799   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0638   -1.4341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3493   -1.8465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 2  4  2  0 
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18 19  1  0 
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21 22  1  0 
13 23  1  0 
23 24  1  0 

S SKP 6 ID LBF20406HP10 FORMULA C20H32O4 EXACTMASS 336.23005951199997 AVERAGEMASS 336.46567999999996 SMILES C(CC=CC=CC(OO)CC=CCC=CCCCC(O)=O)CCC AUTODRAW FALSE M END