Mol:LBF15000HO03

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

19 18  0  0  0  0  0  0  0  0999 V2000 
   4.2744   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.9891    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7035   -0.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.9891    1.0298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5598    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8453   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1308    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4164   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7044    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0076   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7196    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4316   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1436    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8556   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5676    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2795   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.9915    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2744   -1.0298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.7035   -0.2077    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 
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 
 1 18  1  0 
17 19  1  0 

S SKP 6 ID LBF15000HO03 FORMULA C15H30O4 EXACTMASS 274.21440944799997 AVERAGEMASS 274.3963 SMILES OCCCCCCCCCCCCCC(O)C(O)=O AUTODRAW FALSE M END