Mol:LBF20406OX02

From Metabolomics.JP
Jump to: navigation, search

LBF20406OX02.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 22  0  0  0  0  0  0  0  0999 V2000 
   -3.2663    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9813    0.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9813   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2663   -0.6628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5527   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5527    0.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8391   -0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1254   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4118   -0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7277    0.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4132   -0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0141    0.9886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3004    0.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4132    0.9886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1268   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8404   -0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5540   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2677   -0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9813   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8391   -0.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1268    0.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1268   -0.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8413    0.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  1  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  6 10  2  0  0  0  0 
  9 11  2  0  0  0  0 
 10 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 11 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
  7 20  2  0  0  0  0 
 14 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 21 23  1  0  0  0  0 
S  SKP  5 
ID	LBF20406OX02 
FORMULA	C20H30O3 
EXACTMASS	318.21949482599996 
AVERAGEMASS	318.4504 
SMILES	C(CC=CCC(C=CC=CCC=CCCCC(O)=O)=O)CCC 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox