Mol:FLIAACNS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.6966    0.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6966    0.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1962   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6957    0.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6957    0.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1962    0.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1953   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3052    0.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3052    0.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1953    0.9797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1968    0.9795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1953   -0.5471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8053   -0.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8053   -0.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2694   -0.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7335   -0.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7335   -0.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2694    0.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1968   -0.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1962   -0.7535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1968    0.0916    0.0000 O   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
  1 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  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 18  1  0  0  0  0
 18 13  2  0  0  0  0
 16 19  1  0  0  0  0
  3 20  1  0  0  0  0
 17 21  1  0  0  0  0
S  SKP  8
ID	FLIAACNS0001
KNApSAcK_ID	C00002554
NAME	Orobol;Norsantal;Santol;5,7,3',4'-Tetrahydroxyisoflavone
CAS_RN	480-23-9
FORMULA	C15H10O6
EXACTMASS	286.047738052
AVERAGEMASS	286.2363
SMILES	Oc(c3)cc(O2)c(c(O)3)C(=O)C(=C2)c(c1)cc(O)c(O)c1
M  END

</pre>