Mol:FLIA2ANS0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 21 23  0  0  0  0  0  0  0  0999 V2000 
   -1.9253    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9253    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.2564   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2999    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2999    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2564    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4814    1.1573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8560   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8560   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4508   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0456   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0456   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4508    0.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2564   -0.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6398   -1.1571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6398    0.2853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9253   -0.1272    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 
  8 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 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  7 18  2  0  0  0  0 
 15 19  1  0  0  0  0 
  2 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  SBV   1 22   -6.5544    3.3408 
S  SKP  8 
ID	FLIA2ANS0005 
KNApSAcK_ID	C00009392 
NAME	Glycitein;7,4'-Dihydroxy-6-methoxyisoflavone 
CAS_RN	40957-83-3 
FORMULA	C16H12O5 
EXACTMASS	284.068473494 
AVERAGEMASS	284.26348 
SMILES	COc(c(O)3)cc(c2c3)C(=O)C(=CO2)c(c1)ccc(O)c1 
M  END