Mol:FL1CAAGS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 31  0  0  0  0  0  0  0  0999 V2000 
   -2.0691    1.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0691    0.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3339   -0.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5988    0.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5988    1.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3339    1.6919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1360   -0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8692    0.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6009   -0.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3309    0.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0453    0.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7598    0.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7598    1.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0453    1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3309    1.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1360   -0.8522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4567    1.6441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3339   -0.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8038    1.6918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1360    1.6918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8910   -0.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4316   -1.5626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7700   -1.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0803   -1.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5955   -0.8344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2713   -1.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4567   -1.2826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9765   -1.5626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1004   -1.6919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 10  1  0  0  0  0 
  7 16  2  0  0  0  0 
 17 13  1  0  0  0  0 
  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
  5 20  1  0  0  0  0 
 21 22  1  1  0  0  0 
 22 23  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 21  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 24 18  1  0  0  0  0 
S  SKP  5 
ID	FL1CAAGS0003 
FORMULA	C20H20O9 
EXACTMASS	404.11073223799997 
AVERAGEMASS	404.3674 
SMILES	C(O1)(Oc(c2)c(C(=O)C=Cc(c3)ccc(O)c3)c(cc(O)2)O)C(O)C(C(O)C1)O 
M  END