Mol:FL3FACGS0006

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
   -1.1090   -0.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1090   -1.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4078   -2.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2933   -1.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2933   -0.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4078   -0.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9942   -2.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6953   -1.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6953   -0.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9942   -0.4356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9942   -2.6858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3961   -0.4357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1106   -0.8482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8251   -0.4357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8251    0.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1106    0.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3961    0.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9164   -0.3742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4078   -2.8623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1106    1.6267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5396    0.8017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7780   -0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8015   -0.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1114    0.5038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8015    1.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7780    2.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4682    1.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3806    2.8623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8146    2.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2833    1.6794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5396   -0.0327    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 
  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 
 18  1  1  0  0  0  0 
  3 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  1  0  0  0 
 27 22  1  1  0  0  0 
 26 28  1  0  0  0  0 
 25 29  1  0  0  0  0 
 27 30  1  0  0  0  0 
 22 31  1  0  0  0  0 
 23 18  1  0  0  0  0 
S  SKP  5 
ID	FL3FACGS0006 
FORMULA	C21H20O10 
EXACTMASS	432.10564686 
AVERAGEMASS	432.37749999999994 
SMILES	c(c1)c(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(O)C(O)C(C)2)cc(c(O)1)O 
M  END