Mol:FL1CHYNS0004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 21 22  0  0  0  0  0  0  0  0999 V2000
   -2.0511    0.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0511   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4948   -0.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9385   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9385    0.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4948    0.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3822   -0.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1741   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7302   -0.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2863   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8473   -0.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4083   -0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4083    0.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8473    0.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2863    0.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3822   -0.9714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4948   -1.1122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7302   -1.1107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3824    0.8145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    1.1122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083    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  1  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
  9 18  2  0  0  0  0
  5 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
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   -2.4083    1.1122
S  SKP  8
ID	FL1CHYNS0004
KNApSAcK_ID	C00006996
NAME	2',6',beta-Trihydroxy-4'-methoxychalcone
CAS_RN	35486-66-9
FORMULA	C16H14O5
EXACTMASS	286.084123558
AVERAGEMASS	286.27936
SMILES	COc(c1)cc(O)c(C(=O)CC(=O)c(c2)cccc2)c(O)1
M  END

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