Mol:FL1CEANS0003

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 26  0  0  0  0  0  0  0  0999 V2000
   -2.6887    0.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6887   -0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1324   -0.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5761   -0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1324    0.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4635   -0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6487   -0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097   -0.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7707   -0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7707    0.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    0.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6487    0.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0198   -1.1091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3315    0.6850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0460    0.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8544    1.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0460    0.9745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7101    0.8557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1560    1.3556    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
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 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
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 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
 18 19  1  0  0  0  0
  6 20  1  0  0  0  0
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  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
  5 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  24  25
M  SBL   4  1  25
M  SMT   4  OCH3
M  SVB   4 25     -1.02    0.6768
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    -3.046    0.9745
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   -1.8544    1.2499
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    2.3315     0.685
S  SKP  8
ID	FL1CEANS0003
KNApSAcK_ID	C00006981
NAME	6'-Hydroxy-4,2',3',4'-tetramethoxychalcone
CAS_RN	41929-26-4
FORMULA	C19H20O6
EXACTMASS	344.125988372
AVERAGEMASS	344.3585
SMILES	c(c1C(=O)C=Cc(c2)ccc(OC)c2)(O)cc(c(c1OC)OC)OC
M  END

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