Mol:FL5FAAGS0088

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 50 55  0  0  0  0  0  0  0  0999 V2000 
    2.3267    2.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3267    1.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0411    1.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7556    1.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7556    2.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0411    2.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6122    1.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8977    1.6585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1833    1.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1833    0.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8977    0.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6122    0.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5312    1.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2457    1.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2457    0.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5312    0.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8977   -0.7099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9176    1.5540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3643    0.0282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3563    2.8303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5312   -0.6911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8440   -1.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4315   -2.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6334   -2.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1599   -2.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2525   -1.8370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0508   -2.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1610   -2.8960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1628   -2.3418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5075   -2.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4734    0.9461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8859    0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0927    0.4584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2946    0.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8820    0.9636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6753    0.7370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2993   -0.4487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6293   -0.2686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3563    0.3463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1664    0.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5541   -1.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6289   -2.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1464   -1.6293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9190   -1.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8443   -0.5185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3267   -1.1610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3923   -1.8172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1641   -2.5654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8226   -2.2793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0262   -1.8972    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  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12  7  2  0  0  0  0 
  9 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 10  1  0  0  0  0 
 14 18  1  0  0  0  0 
 11 17  2  0  0  0  0 
 12 19  1  0  0  0  0 
  5 20  1  0  0  0  0 
 16 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 
 24 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 22 30  1  0  0  0  0 
 31 32  1  0  0  0  0 
 32 33  1  1  0  0  0 
 34 33  1  1  0  0  0 
 35 34  1  1  0  0  0 
 35 36  1  0  0  0  0 
 36 31  1  0  0  0  0 
 34 37  1  0  0  0  0 
 33 38  1  0  0  0  0 
 32 39  1  0  0  0  0 
 31 40  1  0  0  0  0 
 41 42  1  0  0  0  0 
 42 43  1  1  0  0  0 
 44 43  1  1  0  0  0 
 45 44  1  1  0  0  0 
 45 46  1  0  0  0  0 
 46 41  1  0  0  0  0 
 44 47  1  0  0  0  0 
 43 48  1  0  0  0  0 
 42 49  1  0  0  0  0 
 41 50  1  0  0  0  0 
 45 19  1  0  0  0  0 
 35 18  1  0  0  0  0 
 25 49  1  0  0  0  0 
S  SKP  5 
ID	FL5FAAGS0088 
FORMULA	C32H38O18 
EXACTMASS	710.205814412 
AVERAGEMASS	710.6333199999999 
SMILES	C(O)(C1)C(C(O)C(OC(C(C)6)C(O)C(C(O6)OC(C(=O)2)=C(c(c5)ccc(O)c5)Oc(c3)c2c(O)cc3OC(C4O)OC(C)C(C4O)O)O)O1)O 
M  END