Mol:FL5FFCGS0011

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Copyright: ARM project http://www.metabolome.jp/
 33 36  0  0  0  0  0  0  0  0999 V2000
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   -0.3325    0.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0470    0.5544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0470   -1.9264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1099    0.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8379    0.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5882    1.8046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2077   -1.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3645   -1.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2046   -0.6285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8683   -2.4358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9046   -2.6560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4759    1.2943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9153    2.4498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  8 20  1  0  0  0  0
 16 21  1  0  0  0  0
 15 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 27 26  1  1  0  0  0
 27 23  1  0  0  0  0
 24 28  1  0  0  0  0
 23 29  1  0  0  0  0
 25 20  1  0  0  0  0
 30 31  1  0  0  0  0
 27 30  1  0  0  0  0
 32 33  1  0  0  0  0
  6 32  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  30  31
M  SBL   1  1  34
M  SMT   1  CH2OH
M  SBV   1  34   -0.0026    0.6886
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  32  33
M  SBL   2  1  36
M  SMT   2  OCH3
M  SBV   2  36    0.0000   -0.7399
S  SKP  5
ID	FL5FFCGS0011
FORMULA	C21H20O12
EXACTMASS	464.095476104
AVERAGEMASS	464.37629999999996
SMILES	C(C(OC(=C3c(c4)cc(c(O)c4)O)C(c(c2O)c(O3)c(c(O)c2)OC)=O)1)(O)C(O)C(O1)CO
M  END

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