Mol:FL1CE9NS0006

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 25  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 
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   -0.9385   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    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 
   -1.9312   -0.8029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.0725    0.8212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7935    1.3212    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 
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 21 22  1  0  0  0  0 
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 23 24  1  0  0  0  0 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  23  24 
M  SBL   4  1  24 
M  SMT   4  OCH3 
M  SVB   4 24   -0.3824    0.6422 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  21  22 
M  SBL   3  1  22 
M  SMT   3  OCH3 
M  SVB   3 22   -1.2167    1.2154 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  19  20 
M  SBL   2  1  20 
M  SMT   2  OCH3 
M  SVB   2 20   -2.4083    0.9399 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  17  18 
M  SBL   1  1  18 
M  SMT   1  OCH3 
M  SVB   1 18   -1.9312   -0.8029 
S  SKP  8 
ID	FL1CE9NS0006 
KNApSAcK_ID	C00006964 
NAME	2',3',4',6'-Tetramethoxychalcone 
CAS_RN	63878-53-5 
FORMULA	C19H20O5 
EXACTMASS	328.13107375 
AVERAGEMASS	328.3591 
SMILES	C(c(c(OC)2)c(c(c(OC)c2)OC)OC)(=O)C=Cc(c1)cccc1 
M  END