Mol:FL2FAEGS0005

From Metabolomics.JP
Revision as of 09:00, 14 March 2009 by Editor (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

FL2FAEGS0005.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
   -1.9688   -0.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9688   -1.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2542   -1.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5397   -1.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5397   -0.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2542    0.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1748   -1.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8893   -1.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8893   -0.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1748    0.1401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6036    0.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3318   -0.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0601    0.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0601    0.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3318    1.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6036    0.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1748   -2.2085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6830    0.1399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3318    2.3239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2542   -2.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1373    0.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4626   -0.0892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6767    0.6597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4626    1.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1373    1.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9233    1.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9736    2.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5437    2.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5287    1.4419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7057    0.2906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7881    1.4011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7057    0.8713    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  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 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 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
 19 15  1  0  0  0  0 
  3 20  1  0  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 25  1  0  0  0  0 
 25 26  1  1  0  0  0 
 26 21  1  1  0  0  0 
 25 27  1  0  0  0  0 
 24 28  1  0  0  0  0 
 26 29  1  0  0  0  0 
 21 30  1  0  0  0  0 
 22 18  1  0  0  0  0 
 31 32  1  0  0  0  0 
 14 31  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   -0.7280   -0.4204 
S  SKP  5 
ID	FL2FAEGS0005 
FORMULA	C22H24O10 
EXACTMASS	448.136946988 
AVERAGEMASS	448.41996000000006 
SMILES	c(c3)(c(c(cc3OC(C4O)OC(C(O)C4O)C)O)1)OC(c(c2)ccc(c2O)OC)CC1=O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox