Mol:089q FLII

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 32  0  0  0  0  0  0  0  0999 V2000 
   -2.5006    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5006    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7864   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0718    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0718    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7864    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3573   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3572    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3572    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0716   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.5006   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5006   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7861    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7861    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2150   -1.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7861   -2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5006   -2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5006   -3.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7861   -3.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2150   -3.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3573   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0718   -1.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.3574    3.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7864    3.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  1  0 
  3  4  2  0 
  4  5  1  0 
  5  6  2  0 
  6  1  1  0 
  1  2  2  0 
  4  7  1  0 
  7  8  2  0 
  8  9  1  0 
  5  9  1  0 
  8 10  1  0 
 10 11  2  0 
 11 12  1  0 
 12 13  2  0 
 13 14  1  0 
 14 15  2  0 
 15 10  1  0 
 15 16  1  0 
 13 17  1  0 
 12 18  1  0 
 18 19  1  0 
 19 20  2  0 
 20 21  1  0 
 20 22  1  0 
  7 23  1  0 
 23 24  2  0 
  1 25  1  0 
  6 26  1  0 
 26 27  1  0 
 27 28  2  0 
 28 29  1  0 
 28 30  1  0 
S  SKP  5 
ID	089q FLII 
FORMULA	C25H26O5 
EXACTMASS	406.178023942 
AVERAGEMASS	406.47094 
SMILES	CC(C)=CCc(c(O)3)cc(c(O)c3)c(o1)c(C=O)c(c2)c(c(CC=C(C)C)c(O)c2)1 
M  END