Mol:FL5FCCGS0002

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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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    1.4137    2.6933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2562    1.0060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8863    2.0974    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
 19 20  1  0  0  0  0
 20 21  1  1  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 19 25  1  0  0  0  0
 24 26  1  0  0  0  0
 23 27  1  0  0  0  0
 20 18  1  0  0  0  0
 18  8  1  0  0  0  0
 21 22  1  1  0  0  0
 15 28  1  0  0  0  0
  3 29  1  0  0  0  0
 16 30  1  0  0  0  0
 31 32  1  0  0  0  0
  1 31  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  31  32
M  SBL   1  1  35
M  SMT   1 ^ OCH3
M  SBV   1  35    0.4503   -0.7797
S  SKP  5
ID	FL5FCCGS0002
FORMULA	C21H20O11
EXACTMASS	448.100561482
AVERAGEMASS	448.3769
SMILES	C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)=C(Oc(c3)c2c(cc(OC)3)O)c(c1)cc(c(O)c1)O
M  END

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