Mol:FL1CRTNS0005

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 23  0  0  0  0  0  0  0  0999 V2000
   -2.3315    0.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3315   -0.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7752   -0.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2189   -0.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2189    0.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7752    0.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6626   -0.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1063   -0.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4498   -0.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0059   -0.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5669   -0.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1279   -0.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1279    0.4664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5669    0.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0059    0.4664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6626   -1.0039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6887    0.7902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4450    0.7902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6887    1.0797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1887    1.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1328   -0.6672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8473   -1.0797    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
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
 11 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1  22
M  SMT   2  OCH3
M  SVB   2 22    1.1328   -0.6672
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  20
M  SMT   1  OCH3
M  SVB   1 20   -2.6887    1.0797
S  SKP  8
ID	FL1CRTNS0005
KNApSAcK_ID	C00006939
NAME	2,4-Dihydroxy-6,4'-dimethoxychalcone
CAS_RN	103461-95-6
FORMULA	C17H16O5
EXACTMASS	300.099773622
AVERAGEMASS	300.30593999999996
SMILES	COc(c2)ccc(c2)C(=O)C=Cc(c(O)1)c(OC)cc(O)c1
M  END

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