Mol:FL7ADINS0002

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FL7ADINS0002.png

300817-32-7.mol 
  ChemDraw11281217212D 
 
 26 29  0  0  0  0  0  0  0  0999 V2000 
   -2.1431    0.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4293   -0.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.4307   -1.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7141    0.2235    0.0000 O   0  3  0  0  0  3  0  0  0  0  0  0 
   -2.8597   -1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5727    0.2272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.1473   -2.2491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0018   -1.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7149    0.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7121   -1.4291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4286   -0.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7163    1.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1438    0.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4048    1.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1453    1.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8605    1.4548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7170   -2.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4315   -2.6641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4048    2.2516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8583   -0.1940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5727    0.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6904    2.6641    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 
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 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  2  0 
 22 11  1  0 
 18 23  1  0 
 17 24  1  0 
 24 25  1  0 
 23 26  1  0 
M  CHG  1   5   1 
S  SKP  5 
ID	FL7ADINS0002 
FORMULA	C19H15O7 
EXACTMASS	355.081777834 
AVERAGEMASS	355.31820000000005 
SMILES	COc(c1)c(O)c(OC)cc1c([o+1]2)c(O)c(C=4)c(c(OC4)3)c(cc(O)c3)2 
M  END
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