Mol:LBF22406SC01


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

24 23  0  0  0  0  0  0  0  0999 V2000 
   1.4298   -0.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7151    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0007   -0.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7113    0.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5363    0.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2508   -0.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9653    0.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.7903    0.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2777   -0.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.7617   -1.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9367   -1.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2222   -0.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5077   -1.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6827   -1.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0318   -0.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7462   -1.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4607   -0.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1727   -1.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8847   -0.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1417    0.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8538   -0.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5657    0.4037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2777   -0.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5657    1.2258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
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16 17  1  0 
17 18  1  0 
18 19  1  0 
 1 20  1  0 
20 21  1  0 
21 22  1  0 
22 23  1  0 
22 24  2  0 

S SKP 6 ID LBF22406SC01 FORMULA C22H36O2 EXACTMASS 332.271530396 AVERAGEMASS 332.52004000000005 SMILES C(CCC(O)=O)CCC=CCC=CCC=CCC=CCCCCC AUTODRAW FALSE M END