Mol:LBF18203JA02

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

21 21  0  0  0  0  0  0  0  0999 V2000 
   2.4172    1.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.1319    0.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.8463    1.1365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.1319   -0.1010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7026    0.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.9881    1.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2737    0.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.4408    1.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1528    0.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8648    1.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5768    0.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5768   -0.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3614   -0.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.8463    0.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3614    0.9803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8623   -0.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1503   -0.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3253   -0.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3891   -0.5135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1011   -0.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6155   -1.1365    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 
 1  5  1  0 
 5  6  1  0 
 6  7  1  0 
 7  8  1  0 
 8  9  1  0 
 9 10  1  0 
11 10  1  1 
11 12  1  0 
12 13  1  0 
13 14  1  0 
14 15  2  0 
15 11  1  0 
12 16  1  1 
16 17  1  0 
17 18  2  0 
18 19  1  0 
19 20  1  0 
13 21  2  0 

S SKP 6 ID LBF18203JA02 FORMULA C18H28O3 EXACTMASS 292.203844762 AVERAGEMASS 292.41312 SMILES C(CC=CCC)(C(=O)1)C(CCCCCCCC(O)=O)C=C1 AUTODRAW FALSE M END