Mol:FL3FACGS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
   -0.5754    0.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5754   -0.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1244   -0.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3267   -0.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3267    0.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1244    0.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7777   -0.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2288   -0.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2288    0.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7777    0.7675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9493   -0.6420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6797    0.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1394    0.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5991    0.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5991    1.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1394    1.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6797    1.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0949    0.8070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1244   -0.7939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3450   -0.9884    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -1.8294   -1.6690    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.0869   -1.3803    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -0.3704   -1.3725    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -0.8910   -0.8518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5406   -1.1946    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -3.0588   -1.4005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6332   -1.7081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6614   -2.0944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1394    2.0944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0588    1.5636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7439   -0.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6987    0.0038    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 
 18  1  1  0  0  0  0 
  3 19  1  0  0  0  0 
 20 21  1  1  0  0  0 
 21 22  1  1  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 20  1  0  0  0  0 
 20 26  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 19  1  0  0  0  0 
 16 29  1  0  0  0  0 
 15 30  1  0  0  0  0 
 25 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   -1.7439   -0.2934 
S  SKP  8 
ID	FL3FACGS0002 
KNApSAcK_ID	C00004261 
NAME	Luteolin 5-glucoside 
CAS_RN	20344-46-1 
FORMULA	C21H20O11 
EXACTMASS	448.100561482 
AVERAGEMASS	448.3769 
SMILES	[C@@H]([C@@H]1Oc(c4)c(C(=O)3)c(cc(O)4)OC(=C3)c(c2)cc(c(O)c2)O)(O)[C@@H](O)[C@@H](O)C(O1)CO 
M  END