Mol:FLIACBCS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
   -2.5567    0.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5567   -0.5639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8422   -0.9763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1277   -0.5639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1277    0.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8422    0.6737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4132   -0.9763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3013   -0.5639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3013    0.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4132    0.6737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8422   -1.8012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0478   -1.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7270   -2.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4061   -1.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4061   -0.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7270   -0.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0478   -0.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4132   -1.8053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6744    2.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3461    1.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5385    1.5799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8307    1.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2061    2.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9365    1.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3497    2.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1246    1.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2344    2.7769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2607    2.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2708    0.6735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9384    1.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2374   -2.1346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3497   -2.7769    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 
  3 11  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 
  7 18  2  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 
 23 27  1  0  0  0  0 
 24 28  1  0  0  0  0 
  6 22  1  0  0  0  0 
 17  8  1  0  0  0  0 
 29 30  1  0  0  0  0 
  1 29  1  0  0  0  0 
 31 32  1  0  0  0  0 
 14 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    0.7141   -0.4123 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  31  32 
M  SBL   2  1  35 
M  SMT   2  OCH3 
M  SBV   2  35   -0.8313    0.4800 
S  SKP  5 
ID	FLIACBCS0002 
FORMULA	C23H24O9 
EXACTMASS	444.14203236599997 
AVERAGEMASS	444.43126 
SMILES	c(c1)c(ccc1C(C4=O)=COc(c42)c(C(C3O)OC(C)C(C3O)O)c(cc(O)2)OC)OC 
M  END