Mol:FL1CG9NS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 25  0  0  0  0  0  0  0  0999 V2000 
   -2.8817   -0.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2490   -0.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0293   -0.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4422    0.4584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0749    0.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2946   -0.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2225    1.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6354    1.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4159    2.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8286    2.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6070    3.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0234    3.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6614    3.6418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8829    3.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4665    2.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7288    1.1490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3970    0.0778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9269   -0.3683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4876    0.8387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2054    1.6140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4289   -1.2081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1950   -1.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3405   -1.3517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9281   -0.6372    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 11  2  0  0  0  0 
 11 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 10  1  0  0  0  0 
  7 16  2  0  0  0  0 
  3 17  1  0  0  0  0 
  6 18  1  0  0  0  0 
  5 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
  1 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  2 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  23  24 
M  SBL   3  1  24 
M  SMT   3  OCH3 
M  SVB   3 24   -2.5869   -0.2297 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  22 
M  SMT   2  OCH3 
M  SVB   2 22   -2.2297    0.9399 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  20 
M  SMT   1  OCH3 
M  SVB   1 20   -0.2038    0.6422 
S  SKP  8 
ID	FL1CG9NS0001 
KNApSAcK_ID	C00006982 
NAME	Pedicin;2',5'-Dihydroxy-3',4',6'-trimethoxychalcone 
CAS_RN	521-51-7 
FORMULA	C18H18O6 
EXACTMASS	330.110338308 
AVERAGEMASS	330.33191999999997 
SMILES	C(c(c2O)c(c(c(c2OC)OC)O)OC)(=O)C=Cc(c1)cccc1 
M  END