Mol:FLIABBNS0001

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FLIABBNS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 24  0  0  0  0  0  0  0  0999 V2000 
   -2.1830    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1830    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6267    0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0704    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0704    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6267    1.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5141    0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0422    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0422    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5141    1.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5983    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5983   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1931   -1.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7879   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7879    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1931    0.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5141   -0.6318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7393    1.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6539   -1.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5200   -1.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0631   -0.1502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3487   -0.5627    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 
  8 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 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 11  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 
 19 20  1  0  0  0  0 
  3 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  23 
M  SMT   2  OCH3 
M  SVB   2 23   -2.0631   -0.1502 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  21 
M  SMT   1  OCH3 
M  SVB   1 21    2.0248   -0.8826 
S  SKP  8 
ID	FLIABBNS0001 
KNApSAcK_ID	C00009456 
NAME	5-O-Methylbiochanin A 
CAS_RN	68939-22-0 
FORMULA	C17H14O5 
EXACTMASS	298.084123558 
AVERAGEMASS	298.29006 
SMILES	COc(c3)ccc(c3)C(=C2)C(=O)c(c(OC)1)c(O2)cc(O)c1 
M  END
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