Mol:FL3FABGS0003

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Copyright: ARM project http://www.metabolome.jp/
 33 36  0  0  0  0  0  0  0  0999 V2000
   -1.0022    0.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0022   -0.7856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3010   -1.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4005   -0.7856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4005    0.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3010    0.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1019   -1.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8031   -0.7856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8031    0.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1019    0.4291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1019   -1.8704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    0.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2190    0.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9339    0.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9339    1.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2190    1.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    1.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7033    0.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3010   -1.9291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9112    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2699   -0.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3463    0.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4551    0.0842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1027    0.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9887    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7593    0.3014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2064   -0.1490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5199   -0.4836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6484    1.6669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7593    1.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6706    1.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4826    1.4537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5841    1.9291    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
 19  3  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
 15 29  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 25 31  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   -0.7145   -0.4125
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  3  31  32  33
M  SBL   2  1  36
M  SMT   2 ^ COOH
M  SBV   2  36    0.6819   -0.6819
S  SKP  5
ID	FL3FABGS0003
FORMULA	C22H20O11
EXACTMASS	460.100561482
AVERAGEMASS	460.3876
SMILES	OC(C4C(O)=O)C(C(O)C(O4)Oc(c3)cc(c(c3O)2)OC(=CC2=O)c(c1)ccc(OC)c1)O
M  END

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