Mol:FL7ADINS0001

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FL7ADINS0001.png

300817-31-6.mol 
  ChemDraw11281217182D 
 
 29 32  0  0  0  0  0  0  0  0999 V2000 
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    0.7121   -1.0166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4286    0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7163    1.4585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1438    0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4048    1.8391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1453    1.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8605    1.8673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7170   -1.8391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4315   -2.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0026   -2.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4315   -3.0766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0026   -3.0766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4048    2.6641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8583    0.2185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5727    0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6904    3.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0 
  1  3  2  0 
  2  4  2  0 
  2  5  1  0 
  3  6  1  0 
  3  7  1  0 
  4  8  1  0 
  4  9  1  0 
  5 10  2  0 
  6  8  2  0 
  8 11  1  0 
  9 12  2  0 
 10 12  1  0 
 10 13  1  0 
 12 14  1  0 
 13 15  2  0 
 13 16  1  0 
 15 17  1  0 
 16 18  2  0 
 17 19  2  0 
 18 19  1  0 
 19 20  1  0 
  9 21  1  0 
 21 22  1  0 
 22 11  1  0 
 21 23  2  0 
 22 24  2  0 
 23 25  1  0 
 18 26  1  0 
 17 27  1  0 
 27 28  1  0 
 26 29  1  0 
M  CHG  1   5   1 
S  SKP  5 
ID	FL7ADINS0001 
FORMULA	C20H15O9 
EXACTMASS	399.071607078 
AVERAGEMASS	399.3277 
SMILES	COc(c1)c(O)c(OC)cc1c([o+1]2)c(O)c(C(=CO)4)c(c3OC(=O)4)c(cc(O)c3)2 
M  END
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