Mol:FL3FAACS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 32  0  0  0  0  0  0  0  0999 V2000 
   -1.4938    0.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4938   -0.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7793   -1.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0648   -0.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0648    0.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7793    0.6068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6496   -1.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3641   -0.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3641    0.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6496    0.6068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6496   -1.6864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0783    0.6066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8065    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5347    0.6066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5347    1.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8065    1.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0783    1.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2626    1.8678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7793   -1.8679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1610   -0.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6843   -1.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9978   -1.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3355   -1.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8168   -0.6898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4174   -1.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0118   -0.2591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2626   -1.4454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4320   -1.5050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2080    0.6066    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 
 15 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 20 21  1  1  0  0  0 
 21 22  1  1  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 20  1  0  0  0  0 
 20 26  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23  2  1  0  0  0  0 
  1 29  1  0  0  0  0 
S  SKP  5 
ID	FL3FAACS0003 
FORMULA	C20H18O9 
EXACTMASS	402.095082174 
AVERAGEMASS	402.35152 
SMILES	C(C(O)1)OC(c(c(O)4)c(O)c(C(=O)3)c(c4)OC(=C3)c(c2)ccc(O)c2)C(O)C1O 
M  END