Mol:LBF12000BC15

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

16 15  0  0  0  0  0  0  0  0999 V2000 
   2.8504   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5651    0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2795   -0.0014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5651    1.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1358    0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4213   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7069    0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0076   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7196    0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4316   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1436    0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8556   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5676    0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2795   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0076   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7221   -1.2361    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 
 8 15  1  0 
15 16  1  0 

S SKP 6 ID LBF12000BC15 FORMULA C14H28O2 EXACTMASS 228.20893013999998 AVERAGEMASS 228.37091999999998 SMILES CCCCCCC(CC)CCCCC(O)=O AUTODRAW FALSE M END