Mol:FLIABCNI0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
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   -2.0045    1.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4482    0.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8919    1.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8919    1.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4482    2.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3356    0.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2207    1.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2207    1.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3356    2.1866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7768    0.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7768    0.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3716   -0.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9664    0.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9664    0.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3716    1.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3356    0.2597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5606    2.1865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5606   -0.1279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3716   -0.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9658   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9658   -1.8435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5600   -2.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3716   -2.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5606    1.2450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8846    0.7413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1701    0.3288    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 
  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
 13 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
 15 25  1  0  0  0  0 
  3 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  26  27 
M  SBL   1  1  28 
M  SMT   1 OCH3 
M  SBV   1 28   -5.1593    5.4380 
S  SKP  8 
ID	FLIABCNI0001 
KNApSAcK_ID	C00009877 
NAME	Glisoflavone;7,3',4'-Trihydroxy-5-methoxy-5'-prenylisoflavone 
CAS_RN	125709-32-2 
FORMULA	C21H20O6 
EXACTMASS	368.125988372 
AVERAGEMASS	368.37989999999996 
SMILES	COc(c3)c(c(cc(O)3)1)C(C(c(c2)cc(c(O)c(O)2)CC=C(C)C)=CO1)=O 
M  END