Mol:FL3FECNSS001

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -1.3708   -0.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3708   -0.6640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9197   -0.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4686   -0.6640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4686   -0.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9197    0.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0176   -0.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4335   -0.6640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4335   -0.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0176    0.1173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0176   -1.3305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8844    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3441   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8038    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8038    0.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3441    0.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8844    0.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3441    1.4442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3941    0.9888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8209    0.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9197   -1.4442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8209    0.8165    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8209    1.3727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3941    0.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2148    0.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8209   -0.9239    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 
 16 18  1  0  0  0  0 
 19 15  1  0  0  0  0 
  1 20  1  0  0  0  0 
  3 21  1  0  0  0  0 
 20 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 22 24  2  0  0  0  0 
 22 25  2  0  0  0  0 
  2 26  1  0  0  0  0 
S  SKP  8 
ID	FL3FECNSS001 
KNApSAcK_ID	C00004355 
NAME	6-Hydroxyluteolin 7-sulfate 
CAS_RN	111509-45-6 
FORMULA	C15H10O10S 
EXACTMASS	381.99946723 
AVERAGEMASS	382.2999 
SMILES	Oc(c3)c(O)cc(c3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(O)c1OS(O)(=O)=O 
M  END