Mol:FL1CE8NS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 25  0  0  0  0  0  0  0  0999 V2000
   -1.9517    0.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9517   -0.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3953   -0.6403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8390   -0.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8390    0.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3953    0.6444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2827   -0.6403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2736   -0.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8297   -0.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3857   -0.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9467   -0.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5077   -0.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5077    0.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9467    0.6525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3857    0.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2827   -1.1416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5077    0.6443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0271    0.8231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5127   -0.8049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2272   -1.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8318   -0.8008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1173   -1.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1173    1.2174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6808    2.1171    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
  1 17  1  0  0  0  0
  5 18  1  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  0  0  0  0
  3 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   -1.1173    1.2174
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   -1.8318   -0.8008
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    1.5127   -0.8049
S  SKP  8
ID	FL1CE8NS0001
KNApSAcK_ID	C00006967
NAME	2',4'-Dihydroxy-2,3',6'-trimethoxychalcone
CAS_RN	100079-39-8
FORMULA	C18H18O6
EXACTMASS	330.110338308
AVERAGEMASS	330.33191999999997
SMILES	c(c1O)(OC)c(O)cc(c1C(=O)C=Cc(c2)c(OC)ccc2)OC
M  END

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