Mol:FL5FAIGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
   -3.3040   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3040   -1.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6029   -1.5768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9019   -1.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9018   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6029    0.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2007   -1.5768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4998   -1.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4997   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2007    0.0422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2007   -2.3117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2011    0.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9156   -0.3705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6302    0.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6302    0.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9156    1.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2011    0.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0048    0.0420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3405   -1.6928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7195   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9191   -2.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8840   -2.5555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6272   -3.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4276   -2.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4627   -2.4841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9993   -1.5372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3561   -2.1706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0048   -3.1671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3747    1.2969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6029   -2.2909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4297   -0.4195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6899   -0.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9156    2.0674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4718    3.1982    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 
  9 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  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 12  1  0  0  0  0 
  1 18  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 20  1  0  0  0  0 
 20 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
 24 28  1  0  0  0  0 
 21 19  1  0  0  0  0 
 19  8  1  0  0  0  0 
 22 23  1  1  0  0  0 
 15 29  1  0  0  0  0 
  3 30  1  0  0  0  0 
 31 32  1  0  0  0  0 
 14 31  1  0  0  0  0 
 33 34  1  0  0  0  0 
 16 33  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   -0.7994    0.4616 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  33  34 
M  SBL   2  1  37 
M  SMT   2  OCH3 
M  SBV   2  37    0.0000   -0.7878 
S  SKP  5 
ID	FL5FAIGS0001 
FORMULA	C22H22O12 
EXACTMASS	478.111126168 
AVERAGEMASS	478.40288000000004 
SMILES	c(C(=O)1)(c4O)c(cc(c4)O)OC(c(c3)cc(c(c3OC)O)OC)=C1OC(C(O)2)OCC(C(O)2)O 
M  END