Mol:FL5FEAGL0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
    0.0658   -4.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6985   -4.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9182   -4.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5053   -3.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1274   -3.7825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3470   -4.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7250   -3.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3121   -2.5753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3206   -2.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5402   -3.2904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2181   -2.9803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7333   -2.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5094   -1.5797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9302   -1.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5749   -1.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7989   -1.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3780   -2.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1537   -5.4816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7414   -1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1922   -0.4910    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.8045   -1.1624    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    1.5500   -0.9494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3000   -1.1624    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.6877   -0.4910    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    1.9422   -0.7040    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.4651   -0.6858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2442   -0.1808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2827   -0.4910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9957   -0.6905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1113   -5.2586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5504   -4.0515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1459   -1.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2758   -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 
  2 30  1  0  0  0  0 
  3 31  1  0  0  0  0 
 23 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  32  33 
M  SBL   1  1  35 
M  SMT   1  CH2OH 
M  SVB   1 35    3.1459   -1.5134 
S  SKP  8 
ID	FL5FEAGL0001 
KNApSAcK_ID	C00005306 
NAME	6-Hydroxykaempferol 3-glucoside 
CAS_RN	145134-61-8 
FORMULA	C21H20O12 
EXACTMASS	464.095476104 
AVERAGEMASS	464.37629999999996 
SMILES	O(C(C4=O)=C(Oc(c34)cc(O)c(c3O)O)c(c2)ccc(O)c2)[C@@H](C(O)1)O[C@H](CO)[C@H](O)C1O 
M  END