Mol:FL1CCDNS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 24  0  0  0  0  0  0  0  0999 V2000
   -2.5101    0.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5101   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9538   -0.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3975   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3975    0.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9538    0.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8412   -0.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2849   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2712   -0.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8273   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3883   -0.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9493   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9493    0.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3883    0.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8273    0.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8412   -0.9714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9538   -1.1122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5101    0.8227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8414    0.8145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8153   -0.6489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6813   -1.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8674    1.1122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3675    1.9782    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
 13 18  1  0  0  0  0
  5 19  1  0  0  0  0
 12 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
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  22  23
M  SBL   2  1  23
M  SMT   2  OCH3
M  SVB   2 23   -2.8674    1.1122
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  21
M  SMT   1  OCH3
M  SVB   1 21    2.1529   -0.3552
S  SKP  8
ID	FL1CCDNS0001
KNApSAcK_ID	C00006975
NAME	4,2',6'-Trihydroxy-3,4'-dimethoxychalcone
CAS_RN	137225-58-2
FORMULA	C17H16O6
EXACTMASS	316.094688244
AVERAGEMASS	316.30534
SMILES	COc(c1)cc(O)c(C(=O)C=Cc(c2)cc(OC)c(O)c2)c(O)1
M  END

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