Mol:LBF19000BC01


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

22 21  0  0  0  0  0  0  0  0999 V2000 
   5.3436   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.0583    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.7728   -0.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   6.0583    1.0298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.6290    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9145   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2001    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4856   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7736    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0616   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3496    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3624   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0744    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7863   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4983    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2103   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9223    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6343   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.3463    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.0583   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.7728    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.0583   -1.0298    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 
18 19  1  0 
19 20  1  0 
20 21  1  0 
20 22  1  0 

S SKP 6 ID LBF19000BC01 FORMULA C20H40O2 EXACTMASS 312.302830524 AVERAGEMASS 312.53040000000004 SMILES C(CCCCCCCCC(O)=O)CCCCCCCC(C)C AUTODRAW FALSE M END