Mol:FL1CEANS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 25  0  0  0  0  0  0  0  0999 V2000
   -2.3315    0.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3315   -0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7752   -0.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2189   -0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2189    0.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7752    0.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6626   -0.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1063   -0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4498   -0.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0059   -0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5669   -0.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1279   -0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1279    0.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5669    0.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0059    0.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6626   -1.1091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7752   -1.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6887    0.6850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3529    0.8557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5132    1.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6887    0.9745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1886    1.8406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4972    1.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0607    2.1496    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
 19 20  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
  6 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  23  24
M  SBL   3  1  24
M  SMT   3  OCH3
M  SVB   3 24   -1.4972    1.2499
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   -2.6887    0.9745
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   -0.6628    0.6768
S  SKP  8
ID	FL1CEANS0001
KNApSAcK_ID	C00006979
NAME	4,6'-Dihydroxy-2',3',4'-trimethoxychalcone
CAS_RN	59567-92-9
FORMULA	C18H18O6
EXACTMASS	330.110338308
AVERAGEMASS	330.33191999999997
SMILES	c(c1C(=O)C=Cc(c2)ccc(O)c2)(O)cc(c(c1OC)OC)OC
M  END

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