Mol:FL3FCANS0001

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FL3FCANS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.8676    0.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1342    0.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3663    0.4074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6343    0.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1646    0.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6950    0.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6950    1.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1646    1.3258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6343    1.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3663   -1.3255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2249    1.3256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3672   -1.3258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2249    0.7372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7250    1.6032    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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  9 11  1  0  0  0  0
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  7 17  2  0  0  0  0
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  3 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22   -2.2249    0.7372
S  SKP  8
ID	FL3FCANS0001
KNApSAcK_ID	C00001043
NAME	Genkwanin
CAS_RN	437-64-9
FORMULA	C16H12O5
EXACTMASS	284.068473494
AVERAGEMASS	284.26348
SMILES	COc(c3)cc(O1)c(c(O)3)C(=O)C=C1c(c2)ccc(O)c2
M  END

</pre>

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