View source for Mol:FL3FECNSS004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
   -1.2843   -0.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2843   -0.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8332   -0.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3822   -0.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3822   -0.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8332    0.0497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0689   -0.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5200   -0.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5200   -0.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0689    0.0497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2406   -1.3598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9709    0.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4306   -0.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8903    0.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8903    0.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4306    0.8459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9709    0.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4306    1.4497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4805    0.9212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8332   -1.5117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7991    0.2686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7991    0.9267    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2832    0.9267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7991    1.5117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4805    0.9267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9988   -0.5789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9767   -0.3700    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 
 16 18  1  0  0  0  0 
 19 15  1  0  0  0  0 
  3 20  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 22 24  1  0  0  0  0 
 22 25  2  0  0  0  0 
  1 21  1  0  0  0  0 
  2 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  26  27 
M  SBL   1  1  28 
M  SMT   1  OCH3 
M  SVB   1 28   -1.9988   -0.5789 
S  SKP  8 
ID	FL3FECNSS004 
KNApSAcK_ID	C00004401 
NAME	6-Methoxyluteolin 7-sulfate 
CAS_RN	111534-77-1 
FORMULA	C16H12O10S 
EXACTMASS	396.015117294 
AVERAGEMASS	396.32648000000006 
SMILES	COc(c(O)1)c(cc(O2)c(C(=O)C=C2c(c3)cc(O)c(O)c3)1)OS(O)(=O)=O 
M  END