Mol:055b FLIF

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
   -2.1690    0.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1690    0.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4547   -0.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7403    0.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7403    0.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4547    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0259   -0.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0259    1.3315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4547    2.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1691    2.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8836    2.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8835    1.3315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2961    2.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6805    1.9431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0259   -1.1433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0259    2.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7244    0.1018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7244    0.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4384   -0.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2022   -1.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9660   -1.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9660   -0.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2022    0.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6805   -1.6049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2022    0.9553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4390    1.3391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4384   -1.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2022   -2.4584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9167   -2.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6805   -2.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0100    0.5143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  1  0 
  3  4  2  0 
  4  5  1  0 
  5  6  2  0 
  6  1  1  0 
  4  7  1  0 
  8  5  1  0 
  1  2  2  0 
  6  9  1  0 
  9 10  2  0 
 10 11  1  0 
  1 12  1  0 
 11 12  1  0 
 11 13  1  0 
 11 14  1  0 
  7 15  2  0 
  8 16  1  0 
 17 18  1  0 
 17 19  1  0 
 20 21  2  0 
 22 23  2  0 
 23 19  1  0 
 22 21  1  0 
 21 24  1  0 
 23 25  1  0 
 18 26  1  0 
 26 25  1  0 
 19 27  2  0 
 27 20  1  0 
 20 28  1  0 
 28 29  1  0 
 24 30  1  0 
  7 17  1  0 
 17 31  1  4 
S  SKP  5 
ID	055b FLID 
FORMULA	C24H26O7 
EXACTMASS	426.167853186 
AVERAGEMASS	426.45903999999996 
SMILES	COc(c4)c(OC)cc(c34)C(O)(CCO3)C(=O)c(c2)c(OC)c(C=1)c(c2)OC(C)(C)C1 
M  END