Mol:FL3FAACS0076

From Metabolomics.JP
Jump to: navigation, search

FL3FAACS0076.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 39 43  0  0  0  0  0  0  0  0999 V2000 
    2.5811    0.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8666    0.5574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1521    0.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1521   -0.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8666   -1.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5811   -0.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4377    0.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2768    0.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2768   -0.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4377   -1.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9225    0.5177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4377   -1.8321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8666   -1.6647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3628    0.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0773    0.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7918    0.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7918    1.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0773    1.8337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3628    1.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4070    1.7764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9713   -1.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3084   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6596   -1.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8417   -1.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5046   -0.5413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1535   -1.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0727   -0.5285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9942   -1.8337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0492   -1.4928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4808    0.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.3061    0.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7131   -0.2137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4950   -1.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6697   -1.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2629   -0.4358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9693   -1.3423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.4070   -0.1531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.3254    0.8271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9290    0.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  3  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  4  1  0  0  0  0 
  8 11  1  0  0  0  0 
 10 12  1  0  0  0  0 
  5 13  2  0  0  0  0 
  1 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 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 14  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 
 24  9  1  0  0  0  0 
 30 31  1  0  0  0  0 
 31 32  1  1  0  0  0 
 33 32  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 
 33 36  1  0  0  0  0 
 32 37  1  0  0  0  0 
 31 38  1  0  0  0  0 
 30 39  1  0  0  0  0 
 27 34  1  0  0  0  0 
S  SKP  5 
ID	FL3FAACS0076 
FORMULA	C26H28O13 
EXACTMASS	548.152990982 
AVERAGEMASS	548.49272 
SMILES	c(c5)(ccc(c5)C(O4)=CC(c(c34)c(O)c(c(O)c3)C(O2)C(O)C(C(C2)OC(C1O)OC(C(C1O)O)C)O)=O)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox