Mol:FL5FDECS0001

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
   -2.4178   -0.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4178   -0.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7032   -1.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9887   -0.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9887   -0.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7032    0.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2742   -1.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4403   -0.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4403   -0.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2742    0.2446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7032   -2.2302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1603    0.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8394   -0.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5186    0.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5186    1.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8394    1.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1603    1.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2742   -2.2345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4519    1.8387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1237    1.0321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3161    1.1205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6083    0.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9837    1.5894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7140    1.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1154    1.7654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7985    1.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9779    2.2008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0982    2.0596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1444    0.2517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8394    2.2345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1977    1.4502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1154    0.9204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2579   -1.4650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3702   -2.1072    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 
  3 11  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 
  9 12  1  0  0  0  0 
  7 18  2  0  0  0  0 
 19 20  1  1  0  0  0 
 20 21  1  1  0  0  0 
 22 21  1  1  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 19  1  0  0  0  0 
 19 25  1  0  0  0  0 
 20 26  1  0  0  0  0 
 23 27  1  0  0  0  0 
 24 28  1  0  0  0  0 
  6 22  1  0  0  0  0 
  1 29  1  0  0  0  0 
 16 30  1  0  0  0  0 
 31 32  1  0  0  0  0 
 15 31  1  0  0  0  0 
 33 34  1  0  0  0  0 
  8 33  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  35 
M  SMT   1  OCH3 
M  SBV   1  35   -0.6791   -0.3920 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  33  34 
M  SBL   2  1  37 
M  SMT   2  OCH3 
M  SBV   2  37   -0.8176    0.4721 
S  SKP  5 
ID	FL5FDECS0001 
FORMULA	C23H24O11 
EXACTMASS	476.13186161 
AVERAGEMASS	476.43006 
SMILES	c(c1)c(OC)c(cc(C(O4)=C(OC)C(=O)c(c42)c(cc(O)c2C(C3O)OC(C)C(C3O)O)O)1)O 
M  END