Mol:FL2FAAGS0005

From Metabolomics.JP
Jump to: navigation, search

FL2FAAGS0005.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
   -2.2642    1.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2642    0.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5496   -0.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8352    0.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8352    1.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5496    1.5430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1206   -0.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5939    0.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5939    1.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1206    1.5430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3082    1.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0365    1.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7645    1.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7645    2.3839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0365    2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3082    2.3839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1206   -0.8055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9786    1.5430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4928    2.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5496   -0.9319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7259   -1.6779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0545   -2.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4226   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7868   -2.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4581   -1.6779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0901   -1.8585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7776   -2.6255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4928   -2.0217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3472   -1.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8099   -2.8042    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  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 
 18  1  1  0  0  0  0 
 14 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
 21 22  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 21  1  0  0  0  0 
 23 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 21 29  1  0  0  0  0 
 24 30  1  0  0  0  0 
 20 25  1  0  0  0  0 
S  SKP  5 
ID	FL2FAAGS0005 
FORMULA	C21H22O9 
EXACTMASS	418.126382302 
AVERAGEMASS	418.39398 
SMILES	C(=O)(C3)c(c2OC3c(c4)ccc(O)c4)c(cc(O)c2)OC(O1)C(O)C(O)C(O)C(C)1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox