Mol:LBF17000OX01


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

20 19  0  0  0  0  0  0  0  0999 V2000 
   4.6416   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.3562   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.0707   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.3562    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9269   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2126   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4981   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7836   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0717   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3597   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3548   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0693   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7837   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4983   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2128   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9273   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6417   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.3562   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3548    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.0707   -0.2062    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 
11 19  2  0 
18 20  1  0 

S SKP 6 ID LBF17000OX01 FORMULA C17H32O3 EXACTMASS 284.23514489 AVERAGEMASS 284.43417999999997 SMILES CCCCCCCCC(=O)CCCCCCCC(O)=O AUTODRAW FALSE M END