Mol:FL7ABIGO0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 35 38  0  0  0  0  0  0  0  0999 V2000 
   -3.1703    0.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1703   -0.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4559   -1.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7414   -0.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7414    0.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4559    0.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0269   -1.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3125   -0.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3125    0.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0269    0.4900    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0 
    0.4017    0.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1299    0.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8581    0.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8581    1.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1299    1.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4017    1.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8845    0.4899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5974    1.7574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4967   -1.2387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3862   -2.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0738   -2.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8556   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0738   -1.3235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3862   -0.9264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6044   -1.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5602   -1.7416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4682   -3.1467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9392   -3.5907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3503   -2.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6002    0.0614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8845    0.0614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4581   -1.8420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5406   -2.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1299    2.4383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6968    3.5907    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  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  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 
  1 17  1  0  0  0  0 
 14 18  1  0  0  0  0 
 19  8  1  0  0  0  0 
 21 20  1  1  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  1  0  0  0 
 25 20  1  1  0  0  0 
 25 26  1  0  0  0  0 
 20 27  1  0  0  0  0 
 21 28  1  0  0  0  0 
 22 29  1  0  0  0  0 
 24 19  1  0  0  0  0 
 30 31  1  0  0  0  0 
 13 30  1  0  0  0  0 
 32 33  1  0  0  0  0 
  3 32  1  0  0  0  0 
 34 35  1  0  0  0  0 
 15 34  1  0  0  0  0 
M  CHG  1  10   1 
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   -0.7421    0.4285 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  32  33 
M  SBL   2  1  36 
M  SMT   2  OCH3 
M  SBV   2  36    0.0022    0.6820 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  34  35 
M  SBL   3  1  38 
M  SMT   3  OCH3 
M  SBV   3  38    0.0000   -0.6872 
S  SKP  5 
ID	FL7ABIGS0001 
FORMULA	C24H27O11 
EXACTMASS	491.155336706 
AVERAGEMASS	491.46458 
SMILES	c(c1)(c(c(cc1c(c(OC(O4)C(O)C(C(O)C(C)4)O)3)[o+1]c(c2c3)cc(cc2OC)O)OC)O)OC 
M  END