Mol:FL5FDCGS0004

From Metabolomics.JP
Jump to: navigation, search

FL5FDCGS0004.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
   -1.3065   -0.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3065   -1.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5921   -1.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1224   -1.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1224   -0.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5921   -0.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8368   -1.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5512   -1.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5512   -0.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8368   -0.0855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8368   -2.3787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2654   -0.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9935   -0.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7216   -0.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7216    0.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9935    1.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2654    0.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0207   -0.0858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5921   -2.5601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3169    1.0988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9935    1.8480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5954    0.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7886   -0.2698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0447    0.6260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7886    1.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5954    1.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3396    1.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2361    2.5601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7188    2.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0020    1.6410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3169    0.1977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3602   -1.7901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4723   -2.4322    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 
 16 21  1  0  0  0  0 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  1  0  0  0 
 27 22  1  1  0  0  0 
 26 28  1  0  0  0  0 
 25 29  1  0  0  0  0 
 27 30  1  0  0  0  0 
 22 31  1  0  0  0  0 
 23 18  1  0  0  0  0 
 32 33  1  0  0  0  0 
  8 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  OCH3 
M  SBV   1  36   -0.8090    0.4671 
S  SKP  5 
ID	FL5FDCGS0004 
FORMULA	C22H22O11 
EXACTMASS	462.116211546 
AVERAGEMASS	462.40348000000006 
SMILES	Oc(c24)cc(cc2OC(=C(C4=O)OC)c(c3)ccc(c3O)O)OC(C1O)OC(C(O)C1O)C 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox