Mol:FLIA2LNS0006

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FLIA2LNS0006.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -2.1039    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1039    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5476    0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9913    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9913    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5476    1.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4350    0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1213    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1213    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4350    1.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6774    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6774   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2722   -1.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8670   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8670    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2722    0.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4350   -0.6318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6600    1.2950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2722    1.0400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8184    0.4230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1039    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7330   -1.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5991   -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 
  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
 16 19  1  0  0  0  0 
  2 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    2.1039   -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   -2.8184     0.423 
S  SKP  8 
ID	FLIA2LNS0006 
KNApSAcK_ID	C00009851 
NAME	7,2'-Dihydroxy-6,4'-dimethoxyisoflavone 
CAS_RN	73354-23-1 
FORMULA	C17H14O6 
EXACTMASS	314.07903818 
AVERAGEMASS	314.28945999999996 
SMILES	COc(c3)cc(O)c(c3)C(=C2)C(=O)c(c1)c(O2)cc(O)c(OC)1 
M  END
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