Mol:FL1CE9NS0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 24  0  0  0  0  0  0  0  0999 V2000 
   -2.0511    0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0511   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4948   -0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9385   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9385    0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4948    0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3822   -0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1741   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7302   -0.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2863   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8473   -0.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4083   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4083    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8473    0.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2863    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3822   -1.1437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0725    0.8212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2167    1.2154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7801    2.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4083    0.9399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9083    1.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9312   -0.8029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2167   -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 
  5 17  1  0  0  0  0 
  6 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
  1 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  3 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
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   -1.9312   -0.8029 
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   -2.4083    0.9399 
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   -1.2167    1.2154 
S  SKP  8 
ID	FL1CE9NS0005 
KNApSAcK_ID	C00006963 
NAME	2'-Hydroxy-3',4',6'-trimethoxychalcone 
CAS_RN	6971-20-6 
FORMULA	C18H18O5 
EXACTMASS	314.115423686 
AVERAGEMASS	314.33252 
SMILES	c(c2OC)(OC)cc(c(c2O)C(=O)C=Cc(c1)cccc1)OC 
M  END