Mol:FL4DACGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
   -2.6051    0.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8906   -0.2362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1763    0.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1763    1.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8906    1.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6051    1.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.2526    0.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2526    1.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4619    1.4136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4619   -0.9548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0477    1.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7728    0.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.4981    2.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7728    2.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.8893   -0.9174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5792   -2.7237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9673   -2.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9880   -1.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5447   -0.7426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.7926   -1.2564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7728    3.5053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2233    2.6679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8077   -2.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3140   -3.5053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  3  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  4  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  6  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 
  6 18  1  0  0  0  0 
  8 19  1  1  0  0  0 
  2 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 21  1  0  0  0  0 
 22 26  1  0  0  0  0 
 23 27  1  0  0  0  0 
 24 19  1  0  0  0  0 
 16 28  1  0  0  0  0 
 15 29  1  0  0  0  0 
 30 31  1  0  0  0  0 
 22 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 ^ CH2OH 
M  SBV   1  34    1.1596    0.0000 
S  SKP  5 
ID	FL4DACGS0001 
FORMULA	C20H20O11 
EXACTMASS	436.100561482 
AVERAGEMASS	436.3662 
SMILES	C(O)C(C1O)(COC(OC(C(=O)3)C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)1)O 
M  END