Mol:FL1A1AGM0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
   -0.3218   -0.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3218    0.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0362    0.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7506    0.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7506   -0.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0362   -0.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4627   -0.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9477   -0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4627    0.5468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4552    0.4606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5556   -0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7716   -0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1848   -0.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0113   -0.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4244   -0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0113    0.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1848    0.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2494   -0.1207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6613   -1.5293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6879   -0.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8452   -0.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6549   -0.0014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2391    0.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9620    0.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1523   -0.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.2494    0.6699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6901    0.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9273   -0.1721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9239   -1.0904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0362    1.5293    0.0000 C   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 
  1  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9  2  1  0  0  0  0 
  4 10  1  0  0  0  0 
  8 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 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
 15 18  1  0  0  0  0 
  7 19  2  0  0  0  0 
 21 20  1  1  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  1  0  0  0 
 25 20  1  1  0  0  0 
 24 26  1  0  0  0  0 
 23 27  1  0  0  0  0 
 25 28  1  0  0  0  0 
 20 29  1  0  0  0  0 
 10 21  1  0  0  0  0 
  3 30  1  0  0  0  0 
S  SKP  5 
ID	FL1A1AGM0001 
FORMULA	C22H22O8 
EXACTMASS	414.13146768 
AVERAGEMASS	414.40528000000006 
SMILES	c(c31)(C)c(OC(O4)C(C(C(O)C4C)O)O)ccc(c(c(o3)=Cc(c2)ccc(c2)O)=O)1 
M  END