Mol:FLIAE8NS0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -1.8366    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8366    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2803   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.3886    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1677    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9447   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9447   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5395   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1343   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1343   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5395    0.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.8366    0.8002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5511    0.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5511    0.2852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8366   -0.1273    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 
  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  2 22  1  0  0  0  0 
 22 23  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   -5.3097    6.0196 
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  SBV   2 24   -6.3213    5.5269 
S  SKP  8 
ID	FLIAE8NS0005 
KNApSAcK_ID	C00009825 
NAME	5,7-Dihydroxy-6,2'-dimethoxyisoflavone 
CAS_RN	94285-21-9 
FORMULA	C17H14O6 
EXACTMASS	314.07903818 
AVERAGEMASS	314.28945999999996 
SMILES	COc(c3)c(ccc3)C(=C2)C(=O)c(c(O)1)c(O2)cc(O)c(OC)1 
M  END