Mol:FL2FABGS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
   -1.3937    0.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3937   -0.6388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6793   -1.0513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0352   -0.6388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0352    0.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6793    0.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7496   -1.0513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4641   -0.6388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4641    0.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7496    0.5986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1783    0.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9065    0.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6346    0.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6346    1.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9065    1.8597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1783    1.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7496   -1.7497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.6793   -1.8761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7209    0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2789   -0.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6426    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0284    0.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4747    0.4632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1248    0.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.3088    0.0068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9426   -0.2372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2898   -0.3425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3912    1.8761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.3088    1.3463    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  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  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 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
 18  1  1  0  0  0  0 
  3 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 
 23 24  1  0  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 18  1  0  0  0  0 
 29 30  1  0  0  0  0 
 14 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   -0.7566   -0.4368 
S  SKP  5 
ID	FL2FABGS0003 
FORMULA	C21H22O9 
EXACTMASS	418.126382302 
AVERAGEMASS	418.39398 
SMILES	O(C(Oc(c4)cc(c(c4O)3)OC(CC(=O)3)c(c2)ccc(OC)c2)1)CC(O)C(O)C(O)1 
M  END