Mol:LBF20406HP04


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

24 23  0  0  0  0  0  0  0  0999 V2000 
  -2.5485    0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2629    1.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9774    0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9774   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2629   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5485   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8340   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7235    0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0090    1.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2970    0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5280    0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.2425    1.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.2425    1.8570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.9569    0.6195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1220   -0.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.4100   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4150   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1295   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8414   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5534   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2654   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9774   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8340   -1.4445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1195   -1.8570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 3  4  2  0 
 4  5  1  0 
 5  6  2  0 
 6  7  1  0 
 1  8  2  0 
 8  9  1  0 
 9 10  1  0 
10 11  1  0 
11 12  1  0 
12 13  2  0 
12 14  1  0 
 7 15  1  0 
15 16  1  0 
16 17  2  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
20 21  1  0 
21 22  1  0 
 7 23  1  0 
23 24  1  0 

S SKP 6 ID LBF20406HP04 FORMULA C20H32O4 EXACTMASS 336.23005951199997 AVERAGEMASS 336.46567999999996 SMILES CCCCCC=CCC(OO)C=CC=CCC=CCCCC(O)=O AUTODRAW FALSE M END