Mol:FL3FAGCS0006

From Metabolomics.JP
Jump to: navigation, search

FL3FAGCS0006.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 40 44  0  0  0  0  0  0  0  0999 V2000 
   -1.4880   -0.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4880   -1.5604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7735   -1.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0591   -1.5604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0591   -0.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7735   -0.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6554   -1.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3698   -1.5604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3698   -0.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6554   -0.3229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6554   -2.6161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2022   -0.3231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7735   -2.7975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1635   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9164   -0.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6694   -0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6694    0.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9164    1.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1635    0.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4218    1.0072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5322    2.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3099    1.8790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9799    1.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9712    0.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3760    0.8067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7679    1.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0572    2.4683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3547    2.7975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3980    0.4447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4218   -0.7310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1553   -1.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6787   -2.5340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9922   -2.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3297   -2.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8111   -1.7784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4117   -2.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9844   -1.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4218   -2.5702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5843   -2.6748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9164    1.8763    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 
  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  1 12  1  0  0  0  0 
  3 13  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 14  1  0  0  0  0 
 14  9  1  0  0  0  0 
 17 20  1  0  0  0  0 
 21 22  1  1  0  0  0 
 22 23  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 21  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
  6 24  1  0  0  0  0 
 16 30  1  0  0  0  0 
 31 32  1  1  0  0  0 
 32 33  1  1  0  0  0 
 34 33  1  1  0  0  0 
 34 35  1  0  0  0  0 
 35 36  1  0  0  0  0 
 36 31  1  0  0  0  0 
 31 37  1  0  0  0  0 
 32 38  1  0  0  0  0 
 33 39  1  0  0  0  0 
 34  2  1  0  0  0  0 
 18 40  1  0  0  0  0 
S  SKP  5 
ID	FL3FAGCS0006 
FORMULA	C25H26O15 
EXACTMASS	566.127170162 
AVERAGEMASS	566.46494 
SMILES	C(O1)C(C(C(C1c(c4O)c(O2)c(c(c4C(C(O)5)OCC(C5O)O)O)C(C=C(c(c3)cc(O)c(c3O)O)2)=O)O)O)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox