Mol:FL3FAACS0054

From Metabolomics.JP
Jump to: navigation, search

FL3FAACS0054.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 39 43  0  0  0  0  0  0  0  0999 V2000 
   -1.5334    0.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5334   -0.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8186   -0.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1038   -0.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1038    0.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8186    1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6109   -0.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3257   -0.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3257    0.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6109    1.1377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6109   -1.1563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2478    1.1376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8186   -1.3379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1196    1.1642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8728    0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6260    1.1642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6260    2.0339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8728    2.4687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1196    2.0339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3788    2.4684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8814   -0.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4366   -0.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7960   -0.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1282   -0.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6270    0.1066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2814   -0.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3788   -0.2985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9715   -0.5984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3627   -0.7102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5220   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8565   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2133   -1.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5662   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2317   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8749   -1.5088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1431   -1.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3771   -1.7648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7063   -2.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5662   -2.4687    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 
  1 12  1  0  0  0  0 
  3 13  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 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 14  1  0  0  0  0 
 14  9  1  0  0  0  0 
 17 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 
 30 31  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 30  1  0  0  0  0 
 30 36  1  0  0  0  0 
 31 37  1  0  0  0  0 
 32 38  1  0  0  0  0 
 33 39  1  0  0  0  0 
 34 29  1  0  0  0  0 
 24  2  1  0  0  0  0 
S  SKP  5 
ID	FL3FAACS0054 
FORMULA	C26H28O13 
EXACTMASS	548.152990982 
AVERAGEMASS	548.49272 
SMILES	c(c5)(ccc(c5)C(=C1)Oc(c4)c(c(O)c(c4O)C(O2)C(OC(O3)C(O)C(O)C(C3C)O)C(O)C(O)C2)C1=O)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox