Mol:LBF19109XX01

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

21 21  0  0  0  0  0  0  0  0999 V2000 
   5.0446   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7592   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.4738   -0.6180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7592    0.6195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3298   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6153   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9008   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1863   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4742   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7622   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0501   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7750   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4894   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2015   -0.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9135   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6256   -0.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3376   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.0497   -0.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.7617   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.4738   -0.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3624    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  2  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 
18 19  1  0 
19 20  1  0 
12 21  1  0 
21 11  1  0 

S SKP 6 ID LBF19109XX01 FORMULA C19H34O2 EXACTMASS 294.255880332 AVERAGEMASS 294.47206000000006 SMILES C(=C(CCCCCCCC(O)=O)1)(CCCCCCCC)C1 AUTODRAW FALSE M END