Mol:FLIABBGM0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
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   -1.5519    0.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8311    0.4546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1105    0.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1105   -0.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6368   -1.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3842   -0.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3842    0.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6368    0.4700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5516   -0.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8311   -1.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6368   -2.1182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1310   -1.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1310   -2.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8455   -2.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5599   -2.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5599   -1.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8455   -0.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.0287    0.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2447    0.9701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0287    1.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7092    2.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4933    1.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3975    2.6179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0287    2.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1041    1.8396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3042    0.6074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8311    1.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3042   -2.5102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2352   -2.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8311   -2.0834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0948   -2.6179    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  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9  4  1  0  0  0  0 
  2 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11  5  1  0  0  0  0 
  6 12  2  0  0  0  0 
  7 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 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 13  1  0  0  0  0 
 20 19  1  1  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  1  0  0  0 
 24 19  1  1  0  0  0 
 23 25  1  0  0  0  0 
 22 26  1  0  0  0  0 
 24 27  1  0  0  0  0 
 19 28  1  0  0  0  0 
 20  1  1  0  0  0  0 
  3 29  1  0  0  0  0 
 30 31  1  0  0  0  0 
 16 30  1  0  0  0  0 
 32 33  1  0  0  0  0 
 11 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   -0.7443    0.4297 
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    0.0000    0.8738 
S  SKP  5 
ID	FLIABBGM0001 
FORMULA	C24H26O9 
EXACTMASS	458.15768243 
AVERAGEMASS	458.45784 
SMILES	c(c1C)(OC(O4)C(O)C(C(O)C(C)4)O)cc(OC)c(C(=O)2)c1OC=C2c(c3)ccc(OC)c3 
M  END