Mol:FL1CG9NS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 26  0  0  0  0  0  0  0  0999 V2000 
   -1.9517    0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9517   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3954   -0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8390   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8390    0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3954    0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2827   -0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2736   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8297   -0.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3857   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9467   -0.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5077   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5077    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9467    0.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3857    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2827   -1.1437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5077   -0.6422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1173    1.2154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6807    2.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0270    0.8212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8931    1.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3089    0.9399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8089    1.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8318   -0.8029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1173   -1.2154    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 
  2 17  1  0  0  0  0 
  6 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
  5 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  1 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  3 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  24  25 
M  SBL   4  1  25 
M  SMT   4  OCH3 
M  SVB   4 25   -1.8318   -0.8029 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  22  23 
M  SBL   3  1  23 
M  SMT   3  OCH3 
M  SVB   3 23   -2.3089    0.9399 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  20  21 
M  SBL   2  1  21 
M  SMT   2  OCH3 
M  SVB   2 21    -0.283    0.6422 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  18  19 
M  SBL   1  1  19 
M  SMT   1  OCH3 
M  SVB   1 19   -1.1173    1.2154 
S  SKP  8 
ID	FL1CG9NS0003 
KNApSAcK_ID	C00006984 
NAME	3'-Hydroxy-2',4',5',6'-tetramethoxychalcone 
CAS_RN	80405-08-9 
FORMULA	C19H20O6 
EXACTMASS	344.125988372 
AVERAGEMASS	344.3585 
SMILES	C(c(c2OC)c(c(c(c2O)OC)OC)OC)(=O)C=Cc(c1)cccc1 
M  END