Mol:FL5FDANI0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
   -3.0938    0.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0938   -0.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5375   -0.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9812   -0.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9812    0.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5375    0.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4249   -0.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8686   -0.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8686    0.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4249    0.4224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4249   -1.3631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3125    0.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2544    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8214    0.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8214    1.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2544    1.4044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3125    1.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5370   -1.4044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6507    0.4519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3882    1.4043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9538    1.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5195    1.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0851    1.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0851    0.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6507    1.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0026   -1.0411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8634   -1.5411    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 
  7 11  2  0  0  0  0 
  9 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 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
 18  3  1  0  0  0  0 
 19  1  1  0  0  0  0 
 15 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 23 25  1  0  0  0  0 
  8 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   -0.6584   -0.7261 
S  SKP  8 
ID	FL5FDANI0001 
KNApSAcK_ID	C00004991 
NAME	5,7-Dihydroxy-3-methoxy-4'-prenyloxyflavone 
CAS_RN	145631-54-5 
FORMULA	C21H20O6 
EXACTMASS	368.125988372 
AVERAGEMASS	368.37989999999996 
SMILES	c(c3)(ccc(OCC=C(C)C)c3)C(=C2OC)Oc(c1)c(C2=O)c(cc(O)1)O 
M  END