Mol:FLIAFANI0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
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   -2.6366   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0803   -0.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0803    0.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6366    0.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5240   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.9677    0.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.7780   -1.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7780   -0.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1832   -0.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5240   -1.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6366   -1.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7490    0.8708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3722   -1.4436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9664   -1.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5606   -1.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1548   -1.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1548   -0.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7490   -1.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3585    1.4439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9219    2.3435    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 
  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
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  6 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  26  27 
M  SBL   1  1  28 
M  SMT   1  OCH3 
M  SVB   1 28   -2.3585    1.4439 
S  SKP  8 
ID	FLIAFANI0001 
KNApSAcK_ID	C00009507 
NAME	Aurmillone;5,7-Dihydroxy-8-methoxy-4'-prenyloxyisoflavone 
CAS_RN	68415-32-7 
FORMULA	C21H20O6 
EXACTMASS	368.125988372 
AVERAGEMASS	368.37989999999996 
SMILES	c(c3)(O)c(C1=O)c(c(c(O)3)OC)OC=C1c(c2)ccc(OCC=C(C)C)c2 
M  END