Mol:FL5FEAGL0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
    0.1860   -4.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8187   -4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0384   -4.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6255   -3.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0072   -3.7825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2268   -4.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8452   -3.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4323   -2.5753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2004   -2.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4200   -3.2904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3383   -2.9803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6131   -2.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3892   -1.5797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8100   -1.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4547   -1.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6787   -1.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2578   -2.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0335   -5.4816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8617   -1.8415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3124   -0.4910    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.9247   -1.1624    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    1.6702   -0.9494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4201   -1.1624    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.8079   -0.4910    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.0624   -0.7040    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.5853   -0.6858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3644   -0.1808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3209   -0.4910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8755   -0.6905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6706   -4.0515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7273   -5.4812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2577   -6.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2661   -1.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3961   -2.5049    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 
 20 21  1  0  0  0  0 
 21 22  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 20  1  0  0  0  0 
 20 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
 24 28  1  0  0  0  0 
 21 19  1  0  0  0  0 
 19  8  1  0  0  0  0 
 23 22  1  1  0  0  0 
 15 29  1  0  0  0  0 
  3 30  1  0  0  0  0 
  2 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
 23 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  33  34 
M  SBL   2  1  36 
M  SMT   2  CH2OH 
M  SVB   2 36    3.2661   -1.5134 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  34 
M  SMT   1  OCH3 
M  SVB   1 34   -3.3209   -0.3407 
S  SKP  8 
ID	FL5FEAGL0005 
KNApSAcK_ID	C00005316 
NAME	6-Methoxykaempferol 3-glucoside 
CAS_RN	63422-27-5 
FORMULA	C22H22O12 
EXACTMASS	478.111126168 
AVERAGEMASS	478.40288000000004 
SMILES	c(c1)(ccc(C(O4)=C(C(=O)c(c43)c(c(OC)c(c3)O)O)O[C@H](O2)C(O)C([C@H]([C@@H](CO)2)O)O)c1)O 
M  END