Mol:FL3FCACS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
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   -1.3767   -0.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.0407   -0.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0407    0.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.7494   -1.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4581   -0.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4581    0.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7494    0.4862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7494   -1.7885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6680   -1.9686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.0710    0.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8179    0.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8179    1.4797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0710    1.9110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3242    1.4797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5642    1.9107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4028   -0.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7460   -1.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0890   -1.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1957   -1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8263   -0.5502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5358   -0.8918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3860    0.0392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5642   -1.5224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2167   -1.5717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8319    0.8653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4690    1.9686    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 
  3 12  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 13  1  0  0  0  0 
  9 13  1  0  0  0  0 
 16 19  1  0  0  0  0 
 20 21  1  1  0  0  0 
 21 22  1  1  0  0  0 
 23 22  1  1  0  0  0 
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 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 
  2 23  1  0  0  0  0 
 29 30  1  0  0  0  0 
  1 29  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  33 
M  SMT   1 ^ OCH3 
M  SBV   1  33    0.4552   -0.7882 
S  SKP  5 
ID	FL3FCACS0001 
FORMULA	C21H20O9 
EXACTMASS	416.11073223799997 
AVERAGEMASS	416.37809999999996 
SMILES	c(C(=O)4)(c(OC(=C4)c(c3)ccc(O)c3)2)c(c(c(OC)c2)C(C(O)1)OCC(O)C1O)O 
M  END