Mol:FL3FAACS0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 32  0  0  0  0  0  0  0  0999 V2000 
   -2.5211   -0.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5211   -1.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8066   -1.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0922   -1.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0922   -0.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8066   -0.2474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3777   -1.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3367   -1.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3367   -0.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3777   -0.2474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3777   -2.5405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0509   -0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7791   -0.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5074   -0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5074    0.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7791    1.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0509    0.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2353    1.0135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8066   -2.7220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2353   -0.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5209    2.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1501    2.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8832    1.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8760    0.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3946    1.2038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7116    1.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9590    2.5480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1501    2.7220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3012    0.9669    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 
  1 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  4  0  0  0 
S  SKP  5 
ID	FL3FAACS0004 
FORMULA	C20H18O9 
EXACTMASS	402.095082174 
AVERAGEMASS	402.35152 
SMILES	c(O)(c2)c(C(=O)4)c(OC(=C4)c(c3)ccc(O)c3)c(c(O)2)C(C(O)1)OCC(O)C1O 
M  END