Mol:FL3FADGS0007

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 42 46  0  0  0  0  0  0  0  0999 V2000 
   -0.4387   -0.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4387   -1.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1903   -1.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8193   -1.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8193   -0.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1903   -0.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4482   -1.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0772   -1.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0772   -0.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4482   -0.3289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4482   -2.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7059   -0.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3469   -0.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9879   -0.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9879    0.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3469    0.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7059    0.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1903   -2.5061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6532    0.7953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0663   -0.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0088   -0.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4335   -0.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6052   -0.6662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8061   -0.6576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3868   -0.0766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2330   -0.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9424    0.1823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1639   -0.8890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8818   -1.1962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3206   -1.2430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4705   -1.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8952   -2.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0670   -2.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2678   -2.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8485   -1.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6947   -1.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6532   -2.5424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2817   -2.7901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3469    1.5051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8885    2.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7747    0.6297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7883    1.7451    0.0000 O   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 15  1  0  0  0  0 
  1 20  1  0  0  0  0 
 21 22  1  1  0  0  0 
 22 23  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 21  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 31 32  1  1  0  0  0 
 32 33  1  1  0  0  0 
 34 33  1  1  0  0  0 
 34 35  1  0  0  0  0 
 35 36  1  0  0  0  0 
 36 31  1  0  0  0  0 
 32 37  1  0  0  0  0 
 33 38  1  0  0  0  0 
 30 31  1  0  0  0  0 
 34 29  1  0  0  0  0 
 24 20  1  0  0  0  0 
 39 40  1  0  0  0  0 
 16 39  1  0  0  0  0 
 41 42  1  0  0  0  0 
 26 41  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  39  40 
M  SBL   1  1  44 
M  SMT   1  OCH3 
M  SBV   1  44    0.0000   -0.7238 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  41  42 
M  SBL   2  1  46 
M  SMT   2 ^ CH2OH 
M  SBV   2  46    0.5418   -1.0102 
S  SKP  5 
ID	FL3FADGS0007 
FORMULA	C27H30O15 
EXACTMASS	594.15847029 
AVERAGEMASS	594.5181 
SMILES	O(C(c(c5)cc(OC)c(c5)O)=4)c(c3C(=O)C4)cc(cc3O)OC(O2)C(C(C(O)C(CO)2)O)OC(O1)C(C(C(C1)O)O)O 
M  END