Mol:FLIACANI0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -1.4645    1.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4645    0.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9082    0.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3519    0.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3519    1.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9082    1.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2044    0.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7607    0.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7607    1.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2044    1.3559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3168    0.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3168   -0.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9116   -0.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5064   -0.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5064    0.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9116    0.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2044   -0.5709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0207    0.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0207   -0.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5612   -1.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5612   -1.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1006   -0.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1006   -0.9585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9082   -0.5709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8217    1.6535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3217    2.5195    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 
  2 18  1  0  0  0  0 
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 19 20  2  0  0  0  0 
 20 21  1  0  0  0  0 
 20 22  1  0  0  0  0 
 14 23  1  0  0  0  0 
  3 24  1  0  0  0  0 
  1 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  25  26 
M  SBL   1  1  27 
M  SMT   1  OCH3 
M  SVB   1 27   -1.8217    1.6535 
S  SKP  8 
ID	FLIACANI0001 
KNApSAcK_ID	C00009888 
NAME	Gancaonin G;5,4'-Dihydroxy-7-methoxy-6-prenylisoflavone 
CAS_RN	126716-34-5 
FORMULA	C21H20O5 
EXACTMASS	352.13107375 
AVERAGEMASS	352.3805 
SMILES	COc(c(CC=C(C)C)3)cc(c(c3O)2)OC=C(C2=O)c(c1)ccc(O)c1 
M  END