Mol:FLIAAFNS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.3617    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3617    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8054    0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2491    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2491    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8054    1.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6928    0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1365    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1365    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6928    1.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4196    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4196   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0144   -1.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6092   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6092    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0144    0.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9178    1.2950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6928   -0.6350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8054   -0.6318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2034    0.3535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9178   -0.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4752   -1.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3413   -1.6763    0.0000 C   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
  1 17  1  0  0  0  0
  7 18  2  0  0  0  0
  3 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  22  23
M  SBL   2  1  24
M  SMT   2  OCH3
M  SVB   2 24    1.8461   -0.8826
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    2.2034    0.3535
S  SKP  8
ID	FLIAAFNS0001
KNApSAcK_ID	C00009816
NAME	Pratensein 3'-O-methyl ether;5,7-Dihydroxy-3',4'-dimethoxyisoflavone
CAS_RN	53084-11-0
FORMULA	C17H14O6
EXACTMASS	314.07903818
AVERAGEMASS	314.28945999999996
SMILES	COc(c3)c(OC)cc(c3)C(=C2)C(=O)c(c(O)1)c(O2)cc(O)c1
M  END

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