Mol:FL3FF8GS0006

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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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  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
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 18  1  1  0  0  0  0
  6 19  1  0  0  0  0
  3 20  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 26  1  0  0  0  0
 26 21  1  0  0  0  0
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 23 29  1  0  0  0  0
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 17 30  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 26 31  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  31  32  33
M  SBL   1  1  36
M  SMT   1 ^COOH
M  SBV   1  36    0.7137   -0.6295
S  SKP  5
ID	FL3FF8GS0006
FORMULA	C21H18O12
EXACTMASS	462.07982604
AVERAGEMASS	462.36042
SMILES	C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)1)cc(O)c(C(=O)2)c1OC(c(c(O)3)cccc3)=C2)O)O
M  END

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