Mol:FL5FGCGS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 35 38  0  0  0  0  0  0  0  0999 V2000
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   -2.6995   -0.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1579   -0.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1579    0.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5564    0.5126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5563   -1.7800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8721    0.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6001    0.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3283    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3282    1.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6001    1.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8721    1.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3784   -1.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6158   -1.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6089   -2.0277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4201   -2.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1830   -1.9742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1899   -1.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7628   -1.2069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369   -1.5660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1152   -1.2068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0560    1.7735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6001    2.6141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9885    1.2200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4279    2.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2656   -1.1413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1830   -1.6712    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
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 24 23  1  1  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 20 26  1  0  0  0  0
 25 27  1  0  0  0  0
 24 28  1  0  0  0  0
 21 19  1  0  0  0  0
 19  8  1  0  0  0  0
 22 23  1  1  0  0  0
 15 29  1  0  0  0  0
  3 30  1  0  0  0  0
 16 31  1  0  0  0  0
 32 33  1  0  0  0  0
  6 32  1  0  0  0  0
 34 35  1  0  0  0  0
  2 34  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  32  33
M  SBL   1  1  36
M  SMT   1  OCH3
M  SBV   1  36    0.0035   -0.7073
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  34  35
M  SBL   2  1  38
M  SMT   2 ^ OCH3
M  SBV   2  38    0.5661    0.4168
S  SKP  5
ID	FL5FGCGS0001
FORMULA	C22H22O13
EXACTMASS	494.10604078999995
AVERAGEMASS	494.40228
SMILES	c(c21)(OC)c(O)c(OC)c(O)c1C(C(OC(C(O)4)OCC(C(O)4)O)=C(c(c3)cc(c(O)c3)O)O2)=O
M  END

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