Mol:057j FLIF

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057j FLIF.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 37  0  0  0  0  0  0  0  0999 V2000 
   -2.1617    0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1617   -0.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4473   -0.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7328   -0.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7328    0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4473    1.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0183   -0.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6961   -0.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6961    0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0183    1.1022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4102   -0.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.1741   -1.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9380   -1.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.1741   -0.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.7012   -1.8703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4473    1.9269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1615    2.3393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1741   -2.7518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4106    1.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1718    0.6551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8886   -3.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7012   -2.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6961    1.5147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6961   -0.9602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8762    1.9272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2887    2.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7012    1.9272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1615    3.1643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7328    2.3394    0.0000 O   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 
 13 14  1  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 
 14 19  1  0 
  6 20  1  0 
 20 21  1  0 
 13 22  1  0 
  9 23  1  0 
 23 24  1  0 
 24 16  1  0 
 22 25  1  0 
 19 26  1  0 
  9 27  1  1 
  8 28  1  1 
 18 29  1  0 
 21 29  1  0 
 29 30  1  0 
 29 31  1  0 
 21 32  1  1 
 20 33  1  1 
S  SKP  5 
ID	057j FLIF 
FORMULA	C23H24O9 
EXACTMASS	444.14203236599997 
AVERAGEMASS	444.43126 
SMILES	COc(c5)c(OC)cc(c54)C(O)(C(=O)1)C([H])(CO4)Oc(c32)c(ccc(OC(C)(C)C(O)C(O)3)2)1 
M  END
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