Mol:LBF16000BC09

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

20 19  0  0  0  0  0  0  0  0999 V2000 
   4.2757   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.9903   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7048   -0.6180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.9903    0.6195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5610   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8466   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1321   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4176   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7056   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0064   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7184   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4303   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1423   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8543   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5663   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2783   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.9903   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.7048   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.5778    0.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.4028    0.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 2  4  2  0 
 1  5  1  0 
 5  6  1  0 
 6  7  1  0 
 7  8  1  0 
 8  9  1  0 
 9 10  1  0 
10 11  1  0 
11 12  1  0 
12 13  1  0 
13 14  1  0 
14 15  1  0 
15 16  1  0 
16 17  1  0 
17 18  1  0 
17 19  1  0 
17 20  1  0 

S SKP 6 ID LBF16000BC09 FORMULA C18H36O2 EXACTMASS 284.271530396 AVERAGEMASS 284.47724 SMILES OC(=O)CCCCCCCCCCCCCC(C)(C)C AUTODRAW FALSE M END