Mol:LBF20406HO23


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

23 22  0  0  0  0  0  0  0  0999 V2000 
  -2.5485    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2629    0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9774    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9774   -0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2629   -0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5485   -0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8340   -0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7235    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0090    0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2970    0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5280    0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.2425    0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.2425    1.6507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.9569    0.4132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1220   -0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.4100   -0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4150   -0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1295   -0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8414   -0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5534   -0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2654   -0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9774   -0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8340   -1.6507    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  6 

S SKP 6 ID LBF20406HO23 FORMULA C20H32O3 EXACTMASS 320.23514489 AVERAGEMASS 320.46628 SMILES C(CC=CCC(C=CC=CCC=CCCCC(O)=O)O)CCC AUTODRAW FALSE M END