Mol:FL5FADGS0006

From Metabolomics.JP
Jump to: navigation, search

FL5FADGS0006.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
   -1.6406   -0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6406   -1.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9262   -1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2117   -1.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2117   -0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9262    0.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5027   -1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2172   -1.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2172   -0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5027    0.0849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5027   -2.2968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9314    0.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6596   -0.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3878    0.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3878    0.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6596    1.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9314    0.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3548    0.0848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9301   -2.2107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9734    1.2637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9314   -1.5649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8015   -2.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2333   -3.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4151   -2.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6256   -2.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1993   -2.1089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9152   -2.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6641   -1.8221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9734   -2.9714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7181   -3.2526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2969   -1.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2970   -2.4519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6596    2.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2265    3.2526    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 
  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 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 20 15  1  0  0  0  0 
  8 21  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 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 24 30  1  0  0  0  0 
 25 19  1  0  0  0  0 
 31 32  1  0  0  0  0 
 27 31  1  0  0  0  0 
 33 34  1  0  0  0  0 
 16 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 ^ CH2OH 
M  SBV   1  35    0.3817   -1.0942 
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    0.0000   -0.7543 
S  SKP  5 
ID	FL5FADGS0006 
FORMULA	C22H22O12 
EXACTMASS	478.111126168 
AVERAGEMASS	478.40288000000004 
SMILES	O(c(c1)c(O)ccc1C(=C4O)Oc(c2)c(C4=O)c(OC(C(O)3)OC(CO)C(C3O)O)cc2O)C 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox