Mol:FL3FACGS0011

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
   -0.5498   -0.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5498   -1.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1514   -1.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8525   -1.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8525   -0.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1514    0.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5534   -1.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2545   -1.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2545   -0.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5534    0.1823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5548   -2.2343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9553    0.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6698   -0.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3843    0.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3843    1.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6698    1.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9553    1.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3572    0.2437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1514   -2.2446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6698    2.2446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0988    1.4196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4440    0.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8236   -0.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9581   -0.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1230   -0.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7299    0.4436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4871    0.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.0988   -0.2401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4912   -0.5354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1309   -0.6557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9304    0.5686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6570    0.5686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6004    1.2698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8534    1.2698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  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  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 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 
 18  1  1  0  0  0  0 
  3 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
 22 23  1  1  0  0  0 
 23 24  1  1  0  0  0 
 25 24  1  1  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 24 30  1  0  0  0  0 
 25 18  1  0  0  0  0 
 27 31  1  0  0  0  0 
 31 32  2  0  0  0  0 
 31 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
S  SKP  5 
ID	FL3FACGS0011 
FORMULA	C22H20O12 
EXACTMASS	476.095476104 
AVERAGEMASS	476.387 
SMILES	c(c3)(c(c(cc3OC(O4)C(O)C(C(O)C4C(OC)=O)O)O)1)OC(c(c2)ccc(c2O)O)=CC1=O 
M  END