Mol:FLIAALNS0008

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -2.1039    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.1213    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1213    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4350    1.0086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6774   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6774   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2722   -1.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8670   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8670   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2722    0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.2722    0.7535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4612    1.3062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9612    2.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9840   -0.4366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2696   -0.8491    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 
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  8 11  1  0  0  0  0 
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 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
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  1  2  1  0  0  0  0 
  7 17  2  0  0  0  0 
 14 18  1  0  0  0  0 
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  1 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  3 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    -1.984   -0.4366 
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   -2.4612    1.3062 
S  SKP  8 
ID	FLIAALNS0008 
KNApSAcK_ID	C00009846 
NAME	2',4'-Dihydroxy-5,7-dimethoxyisoflavone 
CAS_RN	131862-36-7 
FORMULA	C17H14O6 
EXACTMASS	314.07903818 
AVERAGEMASS	314.28945999999996 
SMILES	COc(c3)cc(O2)c(c(OC)3)C(=O)C(=C2)c(c1)c(O)cc(O)c1 
M  END