Mol:FL3FA9GS0004

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Copyright: ARM project http://www.metabolome.jp/
 31 34  0  0  0  0  0  0  0  0999 V2000
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   -0.0461   -0.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
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  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
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 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
 23 19  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
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    0.8276   -0.6937
S  SKP  5
ID	FL3FA9GS0004
FORMULA	C21H18O10
EXACTMASS	430.089996796
AVERAGEMASS	430.36162
SMILES	C(C(Oc(c4)cc(c(c4O)3)OC(=CC(=O)3)c(c2)cccc2)1)(O)C(O)C(C(C(O)=O)O1)O
M  END

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