Mol:FL3FG8NS0003

From Metabolomics.JP
Jump to: navigation, search

FL3FG8NS0003.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -0.7744   -1.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3781   -0.9675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8702   -1.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7586   -2.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1549   -2.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6628   -1.8198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2507   -2.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1391   -3.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5355   -3.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0434   -2.8653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7213   -2.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4240   -3.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9255   -4.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8119   -4.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1967   -5.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6951   -4.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8088   -4.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4735   -1.1608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3074   -3.7138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0709   -1.0632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9140   -0.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9416   -0.3945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6560   -0.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2195   -2.2771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4765   -2.9951    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 
  3 18  1  0  0  0  0 
 17 19  1  0  0  0  0 
  1 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  2 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  6 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  24  25 
M  SBL   3  1  26 
M  SMT   3  OCH3 
M  SVB   3 26    -0.766    1.0455 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  22  23 
M  SBL   2  1  24 
M  SMT   2  OCH3 
M  SVB   2 24   -2.3149   -0.3996 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  22 
M  SMT   1  OCH3 
M  SVB   1 22   -1.9576      0.77 
S  SKP  8 
ID	FL3FG8NS0003 
KNApSAcK_ID	C00003875 
NAME	Tenaxin I 
CAS_RN	86926-52-5 
FORMULA	C18H16O7 
EXACTMASS	344.089602866 
AVERAGEMASS	344.31543999999997 
SMILES	O(C(c(c3)c(O)ccc3)=2)c(c1OC)c(C(=O)C2)c(c(c1OC)OC)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox