Mol:FL3FADNS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.9748    0.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9748   -0.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4744   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4735   -0.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0270   -0.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0270    0.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4735    0.4074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5271    0.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0575    0.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5878    1.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0575    1.3258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5271    1.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4744   -1.3258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4749    0.4072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4735   -1.3255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1177    1.3256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4538   -0.0928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3198   -0.5928    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  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  3 17  1  0  0  0  0
  1 18  1  0  0  0  0
  7 19  2  0  0  0  0
 14 20  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  23
M  SMT   1  OCH3
M  SVB   1 23    1.7605     0.201
S  SKP  8
ID	FL3FADNS0001
KNApSAcK_ID	C00001029
NAME	Chrysoeriol
CAS_RN	491-71-4
FORMULA	C16H12O6
EXACTMASS	300.063388116
AVERAGEMASS	300.26288
SMILES	COc(c(O)3)cc(cc3)C(=C1)Oc(c2)c(c(O)cc(O)2)C(=O)1
M  END

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