Mol:FL3FEAGS0022

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 35 38  0  0  0  0  0  0  0  0999 V2000 
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    3.8937    0.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8937    1.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1793    1.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4648    1.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    4.6618    1.8914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7722    1.2503    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 
 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 
 18  3  1  0  0  0  0 
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 20  1  1  0  0  0  0 
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 22 23  1  1  0  0  0 
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 32 33  1  0  0  0  0 
 15 32  1  0  0  0  0 
 34 35  1  0  0  0  0 
  2 34  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    0.5064   -0.6023 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  32  33 
M  SBL   2  1  36 
M  SMT   2  OCH3 
M  SBV   2  36   -0.7681   -0.4435 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  34  35 
M  SBL   3  1  38 
M  SMT   3 ^ OCH3 
M  SBV   3  38    0.6482    0.3742 
S  SKP  5 
ID	FL3FEAGS0022 
FORMULA	C23H22O12 
EXACTMASS	490.111126168 
AVERAGEMASS	490.41358 
SMILES	c(c1)(O3)c(C(=O)C=C(c(c4)ccc(OC)c4)3)c(c(c(OC(O2)C(O)C(C(O)C2C(O)=O)O)1)OC)O 
M  END