Mol:FL4DACGS0021

From Metabolomics.JP
Jump to: navigation, search

FL4DACGS0021.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
   -4.1907   -1.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4764   -1.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7622   -1.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7622   -0.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4764    0.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1907   -0.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0478   -1.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3335   -1.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3335   -0.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0478    0.1905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0478   -2.1777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5385    0.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1865   -0.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9117    0.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9117    1.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1865    1.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5385    1.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.8088    0.1720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6914   -1.8376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6367    1.4446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4764   -2.2831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6654    2.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2529    1.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0461    1.6214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8442    1.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2568    2.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4635    1.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0450    2.0263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8327    2.2831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8088    2.0513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1865    2.2818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5852    1.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5559    0.0747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  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  2  0  0  0  0 
  6  1  1  0  0  0  0 
  3  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  4  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  6  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 
  6 18  1  0  0  0  0 
  8 19  1  1  0  0  0 
 15 20  1  0  0  0  0 
  2 21  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  1  0  0  0 
 24 25  1  1  0  0  0 
 26 25  1  1  0  0  0 
 26 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
 22 28  1  0  0  0  0 
 27 29  1  0  0  0  0 
 26 30  1  0  0  0  0 
 23 20  1  0  0  0  0 
 16 31  1  0  0  0  0 
 32 33  1  0  0  0  0 
 25 32  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  32  33 
M  SBL   1  1  36 
M  SMT   1  CH2OH 
M  SBV   1  36   -0.7410   -0.0508 
S  SKP  5 
ID	FL4DACGS0021 
FORMULA	C21H22O12 
EXACTMASS	466.111126168 
AVERAGEMASS	466.39218 
SMILES	c(c1)c(OC(O4)C(O)C(O)C(O)C4CO)c(O)cc1C(C3O)Oc(c2)c(C3=O)c(cc(O)2)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox