Mol:FL3FFCGS0004

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FL3FFCGS0004.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 34 37  0  0  0  0  0  0  0  0999 V2000
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    0.1822   -0.9269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4758    2.9429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6552    2.4027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5438   -0.0157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3469    2.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1223    2.2736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8340    3.3776    0.0000 O   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
 16 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 20  1  0  0  0  0
 21 15  1  0  0  0  0
  6 22  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  1  1  0  0  0
 26 25  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 31  1  0  0  0  0
 26 22  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 28 32  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  32  33  34
M  SBL   1  1  37
M  SMT   1  COOH
M  SBV   1  37   -0.2609   -0.9311
S  SKP  5
ID	FL3FFCGS0004
FORMULA	C21H18O13
EXACTMASS	478.07474066199995
AVERAGEMASS	478.35982
SMILES	C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c31)c(cc(O)c(C(=O)C=C(O3)c(c2)cc(c(O)c2)O)1)O)O)O
M  END

</pre>

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