Mol:FL7AACGL0124

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FL7AACGL0124.png

FL7AACGL0124.mol 
  ChemDraw12051214253D 
 
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    4.2155   -0.4814   -1.0777 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2289    0.1776   -1.0777 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5529    0.1123    1.0460 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6877    0.6948    2.5960 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3014    0.0256    2.5960 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0443    0.2379    2.5960 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7919    0.0256    2.5960 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1784    0.6948    2.5960 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4354    0.4825    2.5960 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9269    0.6761    2.1664 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7413    1.0124    2.5960 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9723    0.4821    2.5960 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0 
  1  3  1  0 
  2  4  1  0 
  2  5  1  0 
  3  6  1  0 
  3  7  2  0 
  4  8  2  0 
  4  9  1  0 
  5 10  2  0 
  6 11  1  0 
  6 12  2  0 
  7  8  1  0 
  8 13  1  0 
  9 14  1  0 
  9 15  2  0 
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 31  1  1  0 
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 34 35  1  1 
 35 36  1  1 
 37 36  1  1 
 37 38  1  0 
 38 33  1  0 
 33 39  1  0 
 38 40  1  0 
 36 32  1  0 
 37 41  1  0 
 31 34  1  0 
 30 32  1  0 
M  CHG  1   7   1 
S  SKP  5 
ID	FL7AACGL0124 
FORMULA	C29H25O12 
EXACTMASS	565.134601264 
AVERAGEMASS	565.5016 
SMILES	c(c(O)5)c(c42)[o+1]c(c(OC(O6)C(O)C(O)C(O)C(CO)6)c2C=C(Oc4c5)c(c3)ccc(c3)O)c(c1)cc(O)c(O)c1 
M  END
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