Mol:FL5FECGL0005

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 
   -3.5856    0.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5856    0.0279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8846   -0.3769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1836    0.0279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1836    0.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8846    1.2421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4826   -0.3769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7816    0.0279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7816    0.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4826    1.2421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4826   -1.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0808    1.2419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6337    0.8295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3482    1.2419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3482    2.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6337    2.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0808    2.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8846   -1.1860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3320   -1.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8435   -2.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7829   -2.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7279   -2.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2864   -1.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2772   -2.0645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4247   -2.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2440    0.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7556   -0.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6949   -0.3467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6400   -0.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1287    0.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1891   -0.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0063   -0.3994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7218    0.5692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8430    0.1276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4340   -0.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0194   -0.9272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2343   -2.4790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1292   -2.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7307   -3.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3790    0.1043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2864    1.2419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0625    2.4793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6337    3.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2556   -0.3589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3553   -0.8787    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 
  3 18  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  1  0  0  0 
 21 22  1  1  0  0  0 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 19  1  0  0  0  0 
 19 25  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  1  1  0  0  0 
 28 29  1  1  0  0  0 
 30 29  1  1  0  0  0 
 30 31  1  0  0  0  0 
 31 26  1  0  0  0  0 
 31 33  1  0  0  0  0 
 30 34  1  0  0  0  0 
 29 35  1  0  0  0  0 
 23 36  1  0  0  0  0 
 35 36  1  0  0  0  0 
 20 37  1  0  0  0  0 
 21 38  1  0  0  0  0 
 22 39  1  0  0  0  0 
 32  8  1  0  0  0  0 
 27 32  1  0  0  0  0 
 26 40  1  0  0  0  0 
  1 41  1  0  0  0  0 
 15 42  1  0  0  0  0 
 16 43  1  0  0  0  0 
 44 45  1  0  0  0  0 
  2 44  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  44  45 
M  SBL   1  1  49 
M  SMT   1 ^OCH3 
M  SBV   1  49    0.6700    0.3868 
S  SKP  5 
ID	FL5FECGL0005 
FORMULA	C28H32O17 
EXACTMASS	640.163949598 
AVERAGEMASS	640.54348 
SMILES	O(C(OC(=C4c(c5)cc(c(O)c5)O)C(=O)c(c(O)3)c(O4)cc(O)c3OC)2)C(C(C(C2O)O)O)COC(O1)C(C(C(O)C(C)1)O)O 
M  END