Mol:FL7AADGO0001

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FL7AADGO0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
   -3.1352   -0.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1352   -1.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.7331   -1.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7331   -0.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4341   -0.2807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.3309   -0.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0320   -0.2807    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0 
    0.3699   -0.2808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.7988    0.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0843    0.9567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3699    0.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4429   -1.9398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8360   -0.2808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3759    0.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7696   -1.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2638   -2.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2366   -1.9394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3108   -2.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8360   -1.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7484   -1.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0214   -1.4060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2948   -0.9930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6930   -0.5172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4341   -2.7089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0923    1.5782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6487    2.7089    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  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  5  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
 17  8  1  0  0  0  0 
  1 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  1  0  0  0 
 22 23  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 17  1  0  0  0  0 
  3 29  1  0  0  0  0 
 30 31  1  0  0  0  0 
 15 30  1  0  0  0  0 
M  CHG  1  10   1 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  34 
M  SMT   1  OCH3 
M  SBV   1  34   -0.0080   -0.6215 
S  SKP  5 
ID	FL7AADGS0001 
FORMULA	C21H21O10 
EXACTMASS	433.113471892 
AVERAGEMASS	433.38544 
SMILES	C(O1)(Oc(c(c(c4)cc(c(O)c4)OC)3)cc(c2[o+1]3)c(cc(O)c2)O)C(O)C(C(O)C1)O 
M  END
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