Mol:FLIAABNS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.8752    0.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8752    0.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3748   -0.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8743    0.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3748    1.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3739   -0.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1266    0.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1266    0.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3739    1.1551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3754    1.1549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3739   -0.5778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6267   -0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6267   -0.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0908   -0.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5549   -0.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5549   -0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0908    0.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3748   -0.5781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4209   -1.0365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2869   -1.5365    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
  1 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
  3 19  1  0  0  0  0
 16 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    1.6609   -0.7426
S  SKP  8
ID	FLIAABNS0001
KNApSAcK_ID	C00002510
NAME	Biochanin A;Pratensol;Olmelin;Genistein 4'-methyl ether;5,7-Dihydroxy-4'-methoxyisoflavone
CAS_RN	491-80-5
FORMULA	C16H12O5
EXACTMASS	284.068473494
AVERAGEMASS	284.26348
SMILES	COc(c3)ccc(c3)C(=C2)C(=O)c(c(O)1)c(O2)cc(O)c1
M  END

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