Mol:FL2FAFGS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 44 48  0  0  0  0  0  0  0  0999 V2000 
   -0.2713   -0.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4413   -0.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2681   -1.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4486   -1.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1613   -1.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1576   -0.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8775   -1.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5902   -1.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5865   -0.7334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8702   -0.3240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2403   -0.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9564   -0.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6692   -0.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6660    0.4780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9500    0.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2371    0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8786   -2.6173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8968   -0.3849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4486   -2.6885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.3128   -0.7186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2971    0.8423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.9949   -0.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.9346    0.4742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6139    0.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2012   -0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4029   -0.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6094   -0.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0220    0.0547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8204   -0.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1203    0.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9110    0.4197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1370   -0.2473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7915   -0.6336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9749   -1.0746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7264    1.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.4411    2.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.2143    1.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.4235    0.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7088    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9355    0.9812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.9949    0.5843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.7942    1.8322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.2881    2.6885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.8079    2.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  1  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  2  1  0  0  0  0 
  5  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  6  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
  4 19  1  0  0  0  0 
 13 20  1  0  0  0  0 
 14 21  1  0  0  0  0 
 20 22  1  0  0  0  0 
 21 23  1  0  0  0  0 
 24 25  1  1  0  0  0 
 25 26  1  1  0  0  0 
 27 26  1  1  0  0  0 
 27 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 29 24  1  0  0  0  0 
 29 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
 24 32  1  0  0  0  0 
 25 33  1  0  0  0  0 
 26 34  1  0  0  0  0 
 27 18  1  0  0  0  0 
 35 36  1  0  0  0  0 
 36 37  1  1  0  0  0 
 38 37  1  1  0  0  0 
 39 38  1  1  0  0  0 
 39 40  1  0  0  0  0 
 40 35  1  0  0  0  0 
 38 41  1  0  0  0  0 
 37 42  1  0  0  0  0 
 36 43  1  0  0  0  0 
 35 44  1  0  0  0  0 
 39 31  1  0  0  0  0 
S  SKP  5 
ID	FL2FAFGS0002 
FORMULA	C29H36O15 
EXACTMASS	624.2054204819999 
AVERAGEMASS	624.58714 
SMILES	COc(c(OC)1)ccc(C(O5)CC(c(c54)c(cc(c4)OC(C(O)2)OC(COC(O3)C(C(C(O)C(C)3)O)O)C(O)C(O)2)O)=O)c1 
M  END