Mol:FLIACBCS0002

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Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
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   -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
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   -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
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    1.0478   -0.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -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

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