Mol:FL3FE9GS0011

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FL3FE9GS0011.png

 
 
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 31 34  0  0  0  0  0  0  0  0999 V2000 
   -1.1476    1.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1476    0.8127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4465    0.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2545    0.8127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2545    1.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4465    2.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9556    0.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6567    0.8127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6567    1.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9556    2.0270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2225   -0.1638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3575    2.0269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0720    1.6142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7865    2.0269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7865    2.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0720    3.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3575    2.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.8644    2.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4457   -1.4102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9881   -2.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9453   -2.0513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8962   -2.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3538   -1.4102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3966   -1.7080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3464   -1.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6143   -2.1009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6896   -2.8332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8962   -3.2643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2581    1.0179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7865    1.3003    0.0000 C   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 
  3 18  1  0  0  0  0 
 19  1  1  0  0  0  0 
 20 21  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 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 29  1  0  0  0  0 
 24 18  1  0  0  0  0 
 30 31  1  0  0  0  0 
  2 30  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    1.1105   -0.2052 
S  SKP  5 
ID	FL3FE9GS0011 
FORMULA	C22H22O9 
EXACTMASS	430.126382302 
AVERAGEMASS	430.40468000000004 
SMILES	COc(c4O)c(c(c(c4)3)C(=O)C=C(O3)c(c2)cccc2)OC(O1)C(O)C(C(O)C(C)1)O 
M  END
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