Mol:FL5FCGGS0002

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 44 48  0  0  0  0  0  0  0  0999 V2000 
   -2.7573   -1.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0429   -0.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0429   -0.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7573    0.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4718   -0.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4718   -0.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3283   -1.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6138   -0.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6138   -0.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3283    0.3817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1766    0.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8713    0.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5660    0.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5660    1.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8713    1.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1766    1.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2143    0.3980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7573   -1.9941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3283   -1.8890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8713    2.2890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1806    0.0707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1956    1.5913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0733   -1.2525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0816   -2.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1999   -3.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5052   -2.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3720   -2.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4904   -1.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2045   -2.2716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6912   -2.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8396   -3.3155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7355   -3.5442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6332   -3.2318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5737    3.1741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1313    2.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9821    2.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8381    2.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2807    3.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4298    2.9498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9313    3.4743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9536    2.9531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5932    2.5567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0866    3.5442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9536    0.3980    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 
  2  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  3  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  5 17  1  0  0  0  0 
  1 18  1  0  0  0  0 
  7 19  2  0  0  0  0 
 15 20  1  0  0  0  0 
 13 21  1  0  0  0  0 
 14 22  1  0  0  0  0 
  8 23  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  1  0  0  0 
 27 26  1  1  0  0  0 
 28 27  1  1  0  0  0 
 28 29  1  0  0  0  0 
 29 24  1  0  0  0  0 
 23 28  1  0  0  0  0 
 24 30  1  0  0  0  0 
 25 31  1  0  0  0  0 
 26 32  1  0  0  0  0 
 27 33  1  0  0  0  0 
 34 35  1  0  0  0  0 
 35 36  1  1  0  0  0 
 37 36  1  1  0  0  0 
 38 37  1  1  0  0  0 
 38 39  1  0  0  0  0 
 39 34  1  0  0  0  0 
 22 35  1  0  0  0  0 
 39 40  1  0  0  0  0 
 38 41  1  0  0  0  0 
 37 42  1  0  0  0  0 
 36 43  1  0  0  0  0 
 17 44  1  0  0  0  0 
S  SKP  5 
ID	FL5FCGGS0002 
FORMULA	C28H32O16 
EXACTMASS	624.1690349759999 
AVERAGEMASS	624.54408 
SMILES	OC(C1O)C(C(OC(Oc(c5O)c(cc(c5)C(O3)=C(OC(O4)C(O)C(O)C(C(C)4)O)C(c(c32)c(cc(OC)c2)O)=O)O)1)C)O 
M  END