Mol:FL3FEAGS0005

From Metabolomics.JP
Jump to: navigation, search

FL3FEAGS0005.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
    0.1774    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1774   -0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6285   -0.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0795   -0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0795    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6285    0.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5306   -0.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9817   -0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9817    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5306    0.3259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7022   -1.0836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4326    0.3258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8923    0.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3520    0.3258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3520    0.8567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8923    1.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4326    0.8567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2735    0.3258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8116    1.1220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5581   -1.1158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2727   -0.7152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0978    0.1878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -2.5822   -0.4928    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.8397   -0.2041    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.1232   -0.1963    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.6438    0.3244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2934   -0.0185    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -3.8116   -0.2243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3860   -0.5320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4142   -0.9183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4964    0.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4512    1.1786    0.0000 O   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 
 15 19  1  0  0  0  0 
 20  3  1  0  0  0  0 
  2 21  1  0  0  0  0 
 22 23  1  1  0  0  0 
 23 24  1  1  0  0  0 
 25 24  1  1  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 24 30  1  0  0  0  0 
 25 18  1  0  0  0  0 
 27 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  34 
M  SMT   1  CH2OH 
M  SVB   1 34   -2.4964    0.8814 
S  SKP  8 
ID	FL3FEAGS0005 
KNApSAcK_ID	C00004220 
NAME	Scutellarein 7-glucoside 
CAS_RN	26046-94-6 
FORMULA	C21H20O11 
EXACTMASS	448.100561482 
AVERAGEMASS	448.3769 
SMILES	[C@@H]([C@@H]1Oc(c2O)cc(O3)c(C(=O)C=C(c(c4)ccc(O)c4)3)c2O)(O)[C@@H](O)[C@@H](O)C(O1)CO 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox