Mol:079b FLIH

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 30  0  0  0  0  0  0  0  0999 V2000 
   -1.7674    0.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7674    0.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0532   -0.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3387    0.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3387    0.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0532    1.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3756   -0.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0902    0.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0902    0.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3756    1.2970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8046    1.2970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4819   -0.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1963    0.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0532   -1.1778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4819    1.2970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1963    0.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6088    1.5989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9932    0.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8340   -0.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7677   -1.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3756   -1.1778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8498   -1.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5643   -1.5989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2787   -1.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2787   -0.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5643    0.0511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9932   -1.5989    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  2  0 
  8  9  1  0 
  9 10  1  0 
 10  5  1  0 
  1  2  2  0 
  9 11  2  0 
  2 12  1  0 
 12 13  2  0 
  3 14  1  0 
  1 15  1  0 
 15 16  1  0 
 16 13  1  0 
 16 17  1  0 
 16 18  1  0 
 19  8  1  0 
 14 20  1  0 
  7 21  1  0 
 22 23  1  0 
 23 24  2  0 
 24 25  1  0 
 25 26  2  0 
 19 22  2  0 
 19 26  1  0 
 24 27  1  0 
S  SKP  5 
ID	079b FLIH 
FORMULA	C21H18O6 
EXACTMASS	366.110338308 
AVERAGEMASS	366.36402 
SMILES	Oc(c4)ccc(c4)C(C(=O)3)=C(O)c(c(O3)1)c(OC)c(C=2)c(OC(C)(C)C2)c1 
M  END