Mol:FL3FAEGS0013

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 45 49  0  0  0  0  0  0  0  0999 V2000 
    2.5524    1.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5524    0.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2669   -0.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9814    0.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9814    1.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2669    1.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8380   -0.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1235    0.2079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4090   -0.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4090   -1.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1235   -1.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8380   -1.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3054    0.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0199   -0.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0199   -1.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3054   -1.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1235   -2.1604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7344    0.2079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3054   -2.1280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6870    1.4345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5559   -0.1238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.3887    1.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7941   -1.5791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7941   -2.1652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6101   -2.1647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7779   -0.8402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2422   -1.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.1593   -1.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6101   -1.5791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2001   -0.9604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.2721   -0.5549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4572    0.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0446    0.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2462    0.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4528   -0.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8653    0.7008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6637    0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9410   -0.4166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7761    0.1997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.0671    0.5549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0624    1.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7843    1.1166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.3887    2.1652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7843    1.8163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2234    2.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  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  1  1  0  0  0  0 
  2  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12  7  2  0  0  0  0 
  9 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 10  1  0  0  0  0 
 14 18  1  0  0  0  0 
 11 17  2  0  0  0  0 
 16 19  1  0  0  0  0 
  5 20  1  0  0  0  0 
  4 21  1  0  0  0  0 
 20 22  1  0  0  0  0 
 29 23  1  1  0  0  0 
 28 23  1  1  0  0  0 
 27 29  1  1  0  0  0 
 23 24  1  0  0  0  0 
 29 25  1  0  0  0  0 
 30 27  1  0  0  0  0 
 26 31  1  0  0  0  0 
 28 30  1  0  0  0  0 
 23 26  1  0  0  0  0 
 32 33  1  1  0  0  0 
 33 34  1  1  0  0  0 
 35 34  1  1  0  0  0 
 35 36  1  0  0  0  0 
 36 37  1  0  0  0  0 
 37 32  1  0  0  0  0 
 34 38  1  0  0  0  0 
 33 39  1  0  0  0  0 
 32 40  1  0  0  0  0 
 37 41  1  0  0  0  0 
 41 42  1  0  0  0  0 
 42 44  1  0  0  0  0 
 43 44  2  0  0  0  0 
 44 45  1  0  0  0  0 
 35 18  1  0  0  0  0 
 38 27  1  0  0  0  0 
S  SKP  5 
ID	FL3FAEGS0013 
FORMULA	C29H32O16 
EXACTMASS	636.1690349759999 
AVERAGEMASS	636.5547799999999 
SMILES	O(C(C5O)C(OC(C5O)COC(C)=O)Oc(c2)cc(O3)c(C(=O)C=C3c(c4)ccc(c4O)OC)c2O)C(C1O)OCC1(CO)O 
M  END