Mol:FLIAABNP0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 29  0  0  0  0  0  0  0  0999 V2000 
   -1.5839    0.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5839    0.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0276   -0.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4713    0.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4713    0.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0276    1.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0850   -0.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6413    0.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6413    0.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0850    1.0924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1974   -0.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1974   -0.8790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7922   -1.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3869   -0.8790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3869   -0.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7922    0.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0850   -0.8344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0276   -0.8344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1402    1.0924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6965    0.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6965    0.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1402   -0.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3384    0.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6965    1.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2529   -1.3790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1189   -1.8791    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 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22  2  1  0  0  0  0 
 20 23  1  0  0  0  0 
 20 24  1  0  0  0  0 
 14 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  28 
M  SMT   1  OCH3 
M  SVB   1 28    2.6239   -1.0852 
S  SKP  8 
ID	FLIAABNP0001 
KNApSAcK_ID	C00009495 
NAME	4'-O-methylalpinumisoflavone 
CAS_RN	27762-87-4 
FORMULA	C21H18O5 
EXACTMASS	350.115423686 
AVERAGEMASS	350.36462 
SMILES	c(c4)c(ccc(OC)4)C(=C3)C(c(c2O)c(O3)cc(c12)OC(C=C1)(C)C)=O 
M  END