Mol:FL7AFAGL0003

FL7AFAGL0003.mol 
  ChemDraw12051215472D 
 
 54 60  0  0  0  0  0  0  0  0999 V2000 
   -1.3208    1.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0352    1.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3183   -0.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6063    1.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7374    0.6488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0352    2.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4477    0.9302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8602    1.6447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6046   -0.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0335   -0.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6063    2.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1082    1.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4477    3.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3208    2.8822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6952    2.4697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6060   -1.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1107   -0.0573    0.0000 O   0  3  0  0  0  4  0  0  0  0  0  0 
   -2.0349   -1.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8078   -0.1812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1082    2.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8227    1.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6916    0.6488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0352    3.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2727    3.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3212   -1.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1077   -1.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8244   -0.4711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8227    2.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4477    4.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6852    3.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3226   -2.5298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8229   -1.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5397   -0.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5372    2.8822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2727    4.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5368   -1.7098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2534   -0.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5411    0.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6852    5.3276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9686   -0.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2296    1.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9701    0.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6852    1.1740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2188   -4.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9332   -4.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7241   -3.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9332   -2.5269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2188   -2.9393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4278   -3.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3075   -2.7367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4323   -5.3276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9332   -4.9432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7133   -4.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4998   -4.9468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0 
  1  3  1  0 
  1  4  1  0 
  1  5  1  6 
  2  6  1  0 
  2  7  1  6 
  2  8  1  1 
  3  9  1  0 
  3 10  2  0 
  4 11  2  0 
  4 12  1  0 
  6 13  1  0 
  6 14  1  0 
  6 15  1  6 
  9 16  2  0 
  9 17  1  0 
 10 18  1  0 
 10 19  1  0 
 11 14  1  0 
 11 20  1  0 
 12 21  2  0 
 12 22  1  0 
 13 23  1  0 
 13 24  2  0 
 16 25  1  0 
 16 26  1  0 
 17 27  2  0 
 18 25  2  0 
 20 28  2  0 
 21 28  1  0 
 23 29  2  0 
 24 30  1  0 
 25 31  1  0 
 26 32  2  0 
 27 32  1  0 
 27 33  1  0 
 28 34  1  0 
 29 35  1  0 
 30 35  2  0 
 32 36  1  0 
 33 37  2  0 
 33 38  1  0 
 35 39  1  0 
 37 40  1  0 
 38 41  2  0 
 40 42  2  0 
 41 42  1  0 
 42 43  1  0 
 44 45  1  1 
 46 45  1  1 
 47 46  1  1 
 47 48  1  0 
 48 49  1  0 
 49 44  1  0 
 46 50  1  0 
 44 51  1  0 
 45 52  1  0 
 49 53  1  0 
 53 54  1  0 
 36 47  1  0 
M  CHG  1  17   1 
S  SKP  5 
ID	FL7AFAGL0003 
FORMULA	C36H33O15 
EXACTMASS	705.181945386 
AVERAGEMASS	705.63822 
SMILES	C(Oc(c3)c([o+1]c(c(C([H])(c56)C(C([H])(c(c7)ccc(c7)O)Oc(cc(cc(O)6)O)5)([H])O)4)c(c(O)cc(O)4)3)c(c2)ccc(O)c2)(O1)C(C(C(C1CO)O)O)O 
M  END