Mol:FL1CE9NS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 23  0  0  0  0  0  0  0  0999 V2000
   -1.9517    0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9517   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3953   -0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8390   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8390    0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3953    0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2827   -0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2736   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8297   -0.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3857   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9467   -0.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5077   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5077    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9467    0.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3857    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2827   -1.1437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5077    0.6422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0270    0.8212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8318   -0.8029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1173   -1.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1173    1.2154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6808    2.1151    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
  3 19  1  0  0  0  0
 19 20  1  0  0  0  0
  6 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   -1.1173    1.2154
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   -1.8318   -0.8029
S  SKP  8
ID	FL1CE9NS0002
KNApSAcK_ID	C00006960
NAME	2',4'-Dihydroxy-3',6'-dimethoxychalcone
CAS_RN	54299-50-2
FORMULA	C17H16O5
EXACTMASS	300.099773622
AVERAGEMASS	300.30593999999996
SMILES	COc(c1)c(C(=O)C=Cc(c2)cccc2)c(O)c(OC)c(O)1
M  END

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