Mol:061c FLIF

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061c FLIF.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 35  0  0  0  0  0  0  0  0999 V2000 
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   -2.1351   -0.5488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.7226   -0.5488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7226    0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0081    0.6886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4367   -0.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4367   -1.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.9645   -1.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9645   -0.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2006   -0.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0081   -1.7860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.4371    0.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1983    0.2415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4081   -3.0770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2286   -3.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5641   -2.4094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7226    1.1011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.7063    2.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4208    3.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0081    3.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5641    0.2761    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 
  4  7  1  0 
  7  8  1  0 
  8  9  1  0 
  9 10  1  0 
 10  5  1  0 
  8 11  1  0 
 11 12  1  0 
 12 13  2  0 
 14 15  2  0 
 15 16  1  0 
 16 11  2  0 
  1  2  2  0 
  7 17  2  0 
  1 18  1  0 
  6 19  1  0 
  9 20  1  0 
 20 21  1  0 
 21 16  1  0 
 22 23  1  0 
 23 24  1  0 
 14 24  1  0 
 13 22  1  0 
 13 14  1  0 
  9 25  1  1 
  8 26  1  6 
 19 27  1  0 
 27 28  2  0 
 28 29  1  0 
 28 30  1  0 
 18 31  1  0 
S  SKP  5 
ID	061c FLIF 
FORMULA	C23H22O7 
EXACTMASS	410.136553058 
AVERAGEMASS	410.41658000000007 
SMILES	CC(C)=CCc(c(OC)5)c(O1)c(cc5)C(=O)C(O)(c32)C([H])(COc(cc(O4)c(OC4)c3)2)1 
M  END
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