Mol:FL5FECGS0007

From Metabolomics.JP
Jump to: navigation, search

FL5FECGS0007.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 36 39  0  0  0  0  0  0  0  0999 V2000 
   -3.5767   -0.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5767   -0.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8756   -1.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1745   -0.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1745   -0.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8756    0.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4733   -1.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7722   -0.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7722   -0.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4733    0.3287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4733   -2.0187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0714    0.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6432   -0.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3577    0.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3577    1.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6432    1.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0714    1.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2775    0.3284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0652   -1.3731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3827   -0.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8942   -1.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8337   -1.3314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7789   -1.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2675   -0.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3280   -1.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4664   -0.9993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6667   -0.4353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2775   -1.0243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0720    1.5660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8756   -1.9568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6432    2.3910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6508   -1.4905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1707   -0.5901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1707   -2.3910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1308   -1.2057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2303   -1.7255    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 
 20 21  1  0  0  0  0 
 21 22  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 20  1  0  0  0  0 
 20 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
 24 28  1  0  0  0  0 
 21 19  1  0  0  0  0 
 19  8  1  0  0  0  0 
 23 22  1  1  0  0  0 
 15 29  1  0  0  0  0 
  3 30  1  0  0  0  0 
 16 31  1  0  0  0  0 
 32 33  2  0  0  0  0 
 32 34  1  0  0  0  0 
 23 32  1  0  0  0  0 
 35 36  1  0  0  0  0 
  2 35  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  3  32  33  34 
M  SBL   1  1  37 
M  SMT   1 COOH 
M  SBV   1  37   -0.8719   -0.1094 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  35  36 
M  SBL   2  1  39 
M  SMT   2 ^OCH3 
M  SBV   2  39    0.5541    0.3199 
S  SKP  5 
ID	FL5FECGS0007 
FORMULA	C22H20O14 
EXACTMASS	508.085305348 
AVERAGEMASS	508.3858 
SMILES	c(c(C(=C(OC(C(O)4)OC(C(O)C4O)C(O)=O)3)Oc(c(C3=O)2)cc(c(OC)c2O)O)1)cc(c(c1)O)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox