Mol:FL3FF8GS0007

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Copyright: ARM project http://www.metabolome.jp/
 36 39  0  0  0  0  0  0  0  0999 V2000
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  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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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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  3 18  1  0  0  0  0
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 21 22  1  0  0  0  0
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 23 24  1  1  0  0  0
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 17 28  1  0  0  0  0
 28 20  1  0  0  0  0
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  1 30  1  0  0  0  0
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 32 34  1  0  0  0  0
 24 32  1  0  0  0  0
 35 36  1  0  0  0  0
  6 35  1  0  0  0  0
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    0.5721   -0.3303
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  3  32  33  34
M  SBL   2  1  37
M  SMT   2 ^ COOH
M  SBV   2  37    0.6948   -0.5802
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  35  36
M  SBL   3  1  39
M  SMT   3  OCH3
M  SBV   3  39    0.0000   -0.6677
S  SKP  5
ID	FL3FF8GS0007
FORMULA	C23H22O13
EXACTMASS	506.10604078999995
AVERAGEMASS	506.41298000000006
SMILES	c(c(O)1)(C(=O)2)c(OC(c(c(OC(O4)C(O)C(C(O)C4C(O)=O)O)3)c(O)ccc3)=C2)c(c(c1)OC)OC
M  END

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