Mol:FL5FADGS0001

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Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
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   -0.4121   -0.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0302    2.0198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  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
 20 15  1  0  0  0  0
  8 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  1  0  0  0
 26 25  1  1  0  0  0
 26 22  1  0  0  0  0
 23 27  1  0  0  0  0
 22 28  1  0  0  0  0
 24 21  1  0  0  0  0
 29 30  1  0  0  0  0
 16 29  1  0  0  0  0
 31 32  1  0  0  0  0
 26 31  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  29  30
M  SBL   1  1  33
M  SMT   1  OCH3
M  SBV   1  33    0.0000   -0.7466
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  31  32
M  SBL   2  1  35
M  SMT   2  CH2OH
M  SBV   2  35    0.0000    0.6829
S  SKP  5
ID	FL5FADGS0001
FORMULA	C21H20O11
EXACTMASS	448.100561482
AVERAGEMASS	448.3769
SMILES	O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)OC)C(C(O)1)OC(CO)C1O
M  END

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