Mol:FL5FAAGL0088

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 45 49  0  0  0  0  0  0  0  0999 V2000 
   -2.3765    0.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3765   -0.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6619   -1.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9474   -0.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9474    0.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6619    0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2329   -1.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4816   -0.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4816    0.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2329    0.4161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2329   -1.8773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3813    0.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1096    0.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8377    0.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8377    1.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1096    1.8363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3813    1.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6619   -2.0588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6172    1.8658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0387    0.5864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2900   -1.2882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5480    0.8442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8734    0.4548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0874    1.2037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8734    1.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5480    2.3469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3340    1.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3018    2.9614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9125    2.5460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9394    2.0684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.1577    0.8139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2753   -0.7820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8889   -1.4512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6318   -1.2389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3793   -1.4512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7658   -0.7820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0228   -0.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6209   -0.8726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5157   -0.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3994   -0.9049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9462   -1.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4454   -1.8150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4660   -2.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8472   -2.9257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.1577   -2.9614    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 
  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 
  3 18  1  0  0  0  0 
 19 15  1  0  0  0  0 
  4  3  1  0  0  0  0 
  1 20  1  0  0  0  0 
 21  8  1  0  0  0  0 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  1  0  0  0 
 27 22  1  1  0  0  0 
 26 28  1  0  0  0  0 
 25 29  1  0  0  0  0 
 27 30  1  0  0  0  0 
 22 31  1  0  0  0  0 
 23 20  1  0  0  0  0 
 32 33  1  0  0  0  0 
 33 34  1  1  0  0  0 
 34 35  1  1  0  0  0 
 36 35  1  1  0  0  0 
 36 37  1  0  0  0  0 
 37 32  1  0  0  0  0 
 32 38  1  0  0  0  0 
 37 39  1  0  0  0  0 
 36 40  1  0  0  0  0 
 35 41  1  0  0  0  0 
 33 21  1  0  0  0  0 
 41 42  1  0  0  0  0 
 42 43  1  0  0  0  0 
 43 44  2  0  0  0  0 
 43 45  1  0  0  0  0 
S  SKP  5 
ID	FL5FAAGL0088 
FORMULA	C29H32O16 
EXACTMASS	636.1690349759999 
AVERAGEMASS	636.5547799999999 
SMILES	OC(C1Oc(c5)cc(O)c(c54)C(C(=C(O4)c(c3)ccc(c3)O)OC(C2O)OC(C(C(O)2)O)COC(C)=O)=O)C(C(C(O1)C)O)O 
M  END