Mol:FLIAEANS0007

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -2.0045    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.8919    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.2207    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3356    1.0086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7768   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7768   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3716   -1.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9664   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9664   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3716    0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3356   -0.9182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5606   -1.3058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5606   -0.2760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.1701   -0.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3617    1.3062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8616    2.1723    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 
 14 18  1  0  0  0  0 
  2 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  1 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   -2.3617    1.3062 
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   -1.8846   -0.4366 
S  SKP  8 
ID	FLIAEANS0007 
KNApSAcK_ID	C00009464 
NAME	Muningin;6,4'-Dihydroxy-5,7-dimethoxyisoflavone 
CAS_RN	479-83-4 
FORMULA	C17H14O6 
EXACTMASS	314.07903818 
AVERAGEMASS	314.28945999999996 
SMILES	COc(c1)c(O)c(OC)c(C(=O)2)c(OC=C(c(c3)ccc(O)c3)2)1 
M  END