Mol:FL5FABGS0003

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Copyright: ARM project http://www.metabolome.jp/
 34 37  0  0  0  0  0  0  0  0999 V2000
   -3.2963    1.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2964    0.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5952    0.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8943    0.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8942    1.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5952    1.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1930    0.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4920    0.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4920    1.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1930    1.7063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1930   -0.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2087    1.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9232    1.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6378    1.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6378    2.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9232    2.9438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2087    2.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9971    1.7062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5952   -0.6257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3467    0.0447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6558   -0.1873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8296   -0.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6325   -0.8464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1288   -1.5783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9552   -1.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1522   -0.9192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0097    0.1439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0040   -0.6909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3716   -1.6161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3520    2.9437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2525    2.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0575   -2.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9971   -1.3871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8951   -2.9438    0.0000 O   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
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 21 27  1  0  0  0  0
 26 28  1  0  0  0  0
 25 29  1  0  0  0  0
 22 20  1  0  0  0  0
 20  8  1  0  0  0  0
 24 23  1  1  0  0  0
 30 31  1  0  0  0  0
 15 30  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 24 32  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   -0.7142   -0.4124
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  3  32  33  34
M  SBL   2  1  37
M  SMT   2  COOH
M  SBV   2  37   -0.9287    0.4441
S  SKP  5
ID	FL5FABGS0003
FORMULA	C22H20O12
EXACTMASS	476.095476104
AVERAGEMASS	476.387
SMILES	O(C)c(c4)ccc(c4)C(O2)=C(C(=O)c(c3O)c2cc(c3)O)OC(C(O)1)OC(C(O)C1O)C(O)=O
M  END

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