Mol:054 FLIF

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 32  0  0  0  0  0  0  0  0999 V2000 
   -2.6017    1.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6017    0.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8874    0.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1731    0.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1731    1.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8874    1.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4586    0.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2559    0.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2559    1.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4586    1.6516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9699    0.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7337   -1.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4975   -0.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4975    0.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7337    0.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2120   -1.2925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7337    1.2678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9705    1.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2559    2.0641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2559   -0.4107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9699   -0.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7337   -2.1460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4586   -0.8232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2120    1.8048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8764    2.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0560    2.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4482   -2.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2120   -2.1175    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 
  4  7  1  0 
  7  8  1  0 
  8  9  1  0 
  9 10  1  0 
 10  5  1  0 
  8 11  1  0 
 12 13  2  0 
 14 15  2  0 
 15 11  1  0 
  1  2  2  0 
 14 13  1  0 
 13 16  1  0 
 15 17  1  0 
  9 18  1  0 
 18 17  1  0 
  9 19  1  6 
  8 20  1  6 
 11 21  2  0 
 21 12  1  0 
 12 22  1  0 
  7 23  2  0 
 24 25  1  0 
 25 26  2  0 
  6 26  1  0 
  1 24  1  0 
  6  1  1  0 
 22 27  1  0 
 16 28  1  0 
S  SKP  5 
ID	054 FLID 
FORMULA	C20H16O7 
EXACTMASS	368.089602866 
AVERAGEMASS	368.33684000000005 
SMILES	COc(c5)c(OC)cc(c54)C(O)(C(=O)1)C([H])(CO4)Oc(c32)c(ccc(occ3)2)1 
M  END