Mol:FL3FADCS0018

From Metabolomics.JP
Jump to: navigation, search

FL3FADCS0018.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
   -1.8764   -0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8764   -0.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1407   -1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4050   -0.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4050   -0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1407    0.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3306   -1.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0663   -0.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0663   -0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3306    0.4143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3306   -2.0818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1407   -2.0400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6118    0.4142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8076    0.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5069    0.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2061    0.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2061    1.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5069    1.6557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8076    1.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9125    1.6598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4842   -2.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3091   -2.9263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9805   -2.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3860   -2.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5611   -1.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8899   -1.9411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8001   -3.0077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5810   -3.5985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9125   -2.8480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9685   -1.4028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5069    2.4007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0673    3.5985    0.0000 C   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 
  3 12  1  0  0  0  0 
  1 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 
  9 14  1  0  0  0  0 
 17 20  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  1  0  0  0 
 23 24  1  1  0  0  0 
 25 24  1  1  0  0  0 
 25 26  1  0  0  0  0 
 26 21  1  0  0  0  0 
 23 27  1  0  0  0  0 
 22 28  2  0  0  0  0 
 21 29  1  0  0  0  0 
 24 30  1  0  0  0  0 
  2 25  1  0  0  0  0 
 31 32  1  0  0  0  0 
 18 31  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  35 
M  SMT   1  OCH3 
M  SBV   1  35    0.0000   -0.7450 
S  SKP  5 
ID	FL3FADCS0018 
FORMULA	C22H20O10 
EXACTMASS	444.10564686 
AVERAGEMASS	444.3882 
SMILES	O(c23)C(=CC(=O)c(c(c(C(O4)C(C(C(C(C)4)=O)O)O)c(O)c3)O)2)c(c1)cc(c(c1)O)OC 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox