Mol:FLIAAFNS0001

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FLIAAFNS0001.png

 
 
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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