Mol:FL5FDCNS0004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.2827    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2827   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7264   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1701   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0575   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0575    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6138    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6138   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4986    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0655    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6325    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6325    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0655    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4986    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7264   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6400    0.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2552    1.3293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6400    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1401    1.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8085   -0.9911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6745   -1.4911    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
  7 11  2  0  0  0  0
  9 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 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
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  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
  8 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  24  25
M  SBL   2  1  27
M  SMT   2  OCH3
M  SVB   2 27    0.1527   -0.6761
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  22  23
M  SBL   1  1  25
M  SMT   1  OCH3
M  SVB   1 25     -2.64      0.77
S  SKP  8
ID	FL5FDCNS0004
KNApSAcK_ID	C00005047
NAME	5-Hydroxy-3,7-dimethoxy-3',4'-methylenedioxyflavone
CAS_RN	93655-95-9
FORMULA	C18H14O7
EXACTMASS	342.073952802
AVERAGEMASS	342.29956000000004
SMILES	c(c41)(OCO4)ccc(C(O2)=C(C(c(c(O)3)c2cc(OC)c3)=O)OC)c1
M  END

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