Mol:FL3FF9GS0008

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
   -0.1164    0.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1164   -0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5846   -1.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2857   -0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2857    0.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5846    0.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9868   -1.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6877   -0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6877    0.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9868    0.4435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9868   -1.9370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3885    0.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1030    0.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8176    0.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8176    1.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1030    1.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3885    1.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8334    0.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0372    0.2701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3960   -0.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4728   -0.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5820   -0.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2293    0.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1724    0.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7114   -0.1038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2689   -0.5862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7362   -0.7352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5846   -1.9160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6950   -2.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7918    0.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.8176    0.7592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2771    1.6508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5846    1.1573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2600    2.5571    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 
  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 
 18  1  1  0  0  0  0 
 19 20  1  1  0  0  0 
 20 21  1  1  0  0  0 
 22 21  1  1  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 19  1  0  0  0  0 
 19 25  1  0  0  0  0 
 20 26  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 18  1  0  0  0  0 
 28 29  1  0  0  0  0 
  3 28  1  0  0  0  0 
 30 31  2  0  0  0  0 
 30 32  1  0  0  0  0 
 24 30  1  0  0  0  0 
 33 34  1  0  0  0  0 
  6 33  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  28  29 
M  SBL   1  1  32 
M  SMT   1  OCH3 
M  SBV   1  32    0.0000    0.7404 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  3  30  31  32 
M  SBL   2  1  35 
M  SMT   2 ^ COOH 
M  SBV   2  35    0.6194   -0.6578 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  33  34 
M  SBL   3  1  37 
M  SMT   3  OCH3 
M  SBV   3  37    0.0000   -0.7138 
S  SKP  5 
ID	FL3FF9GS0008 
FORMULA	C23H22O11 
EXACTMASS	474.116211546 
AVERAGEMASS	474.41418000000004 
SMILES	C(C(=O)1)=C(c(c4)cccc4)Oc(c(OC)2)c(c(cc2OC(O3)C(O)C(C(O)C3C(O)=O)O)OC)1 
M  END