Mol:FLIAFLNS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.0045    0.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0045   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4482   -0.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8919   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8919    0.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4482    0.8363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3356   -0.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207    0.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3356    0.8363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7768   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7768   -1.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3716   -1.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9664   -1.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9664   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3716   -0.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3356   -1.0905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5606    0.8362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4482   -1.0905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4482    1.4785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3716    0.5813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5606   -1.4781    0.0000 O   0  0  0  0  0  0  0  0  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
  8 11  1  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 16  1  0  0  0  0
 16 11  2  0  0  0  0
  1  2  1  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  6 20  1  0  0  0  0
 16 21  1  0  0  0  0
 14 22  1  0  0  0  0
S  SKP  8
ID	FLIAFLNS0002
KNApSAcK_ID	C00009867
NAME	5,7,8,2',4'-Pentahydroxyisoflavone
CAS_RN	104363-16-8
FORMULA	C15H10O7
EXACTMASS	302.042652674
AVERAGEMASS	302.2357
SMILES	Oc(c3)cc(O)c(c3)C(=C2)C(=O)c(c(O)1)c(O2)c(O)c(O)c1
M  END

</pre>