Mol:FL3FE9GS0007

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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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    1.9955    0.6502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2812    1.0627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2812   -1.2643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4378    0.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1659    1.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1659    1.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1491   -0.9840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6517    1.1060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2938    2.2182    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
  3 18  1  0  0  0  0
  2 19  1  0  0  0  0
 20 21  1  1  0  0  0
 21 22  1  1  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 18 23  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 25 29  1  0  0  0  0
 32 33  1  0  0  0  0
  1 32  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  29  30  31
M  SBL   1  1  34
M  SMT   1 ^ COOH
M  SBV   1  34    0.7039   -0.6031
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    0.7896   -0.4559
S  SKP  5
ID	FL3FE9GS0007
FORMULA	C22H20O11
EXACTMASS	460.100561482
AVERAGEMASS	460.3876
SMILES	c(c4)(cccc4)C(O3)=CC(c(c13)c(OC(C(O)2)OC(C(O)C2O)C(O)=O)c(O)c(c1)OC)=O
M  END

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