Mol:FL7AFAGL0001

FL7AFAGL0001.mol 
  ChemDraw12051215482D 
 
 55 61  0  0  0  0  0  0  0  0999 V2000 
   -1.3208    1.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0352    1.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3183   -0.0763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6063    1.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7374    0.6273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0352    2.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4477    0.9087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8602    1.6232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6046   -0.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0335   -0.4876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6063    2.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1082    1.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4477    3.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3208    2.8607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6952    2.4482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6060   -1.3151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1107   -0.0788    0.0000 O   0  3  0  0  0  4  0  0  0  0  0  0 
   -2.0349   -1.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8078   -0.2027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1082    2.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8227    1.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6916    0.6273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0352    3.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2727    3.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3212   -1.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1077   -1.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8244   -0.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8227    2.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4477    4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6852    3.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3226   -2.5513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8229   -1.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5397   -0.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5372    2.8607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2727    4.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0352    5.3061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5368   -1.7313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2534   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5411    0.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6852    5.3061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9686   -0.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2296    1.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9701    0.7412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6852    1.1525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2617   -4.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9761   -4.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7670   -3.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9761   -2.5054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2617   -2.9178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4707   -3.7159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3504   -2.7152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4752   -5.3061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9761   -4.9217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7562   -4.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5427   -4.9253    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 
 29 36  1  0 
 30 35  2  0 
 32 37  1  0 
 33 38  2  0 
 33 39  1  0 
 35 40  1  0 
 38 41  1  0 
 39 42  2  0 
 41 43  2  0 
 42 43  1  0 
 43 44  1  0 
 45 46  1  1 
 47 46  1  1 
 48 47  1  1 
 48 49  1  0 
 49 50  1  0 
 50 45  1  0 
 47 51  1  0 
 45 52  1  0 
 46 53  1  0 
 50 54  1  0 
 54 55  1  0 
 37 48  1  0 
M  CHG  1  17   1 
S  SKP  5 
ID	FL7AFAGL0001 
FORMULA	C36H33O16 
EXACTMASS	721.176860008 
AVERAGEMASS	721.63762 
SMILES	c(c7)c(ccc(O)7)c([o+1]1)c(OC(O6)C(C(C(C6CO)O)O)O)cc(c(O)2)c(c(C(C4([H])O)([H])c(c(OC4(c(c5)cc(O)c(c5)O)[H])3)c(cc(O)c3)O)c(c2)O)1 
M  END