Mol:FL5FFANI0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 30  0  0  0  0  0  0  0  0999 V2000 
   -3.0915    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0915   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5352   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9789   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9789    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5352    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4226   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8663   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8663    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4226    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4226   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3102    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2568    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8238    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8238    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2568    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3102    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6483    0.5019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2865   -0.7975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5352   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3906    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9562    1.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5207    1.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0851    1.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6483    1.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0851    0.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2571    1.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8205    1.9451    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  1  1  0  0  0  0 
  8 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 24 25  1  0  0  0  0 
 24 26  1  0  0  0  0 
  6 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  27  28 
M  SBL   1  1  29 
M  SMT   1  OCH3 
M  SVB   1 29   -2.2571    1.0455 
S  SKP  8 
ID	FL5FFANI0001 
KNApSAcK_ID	C00005005 
NAME	3,5,7-Trihydroxy-8-methoxy-4'-prenyloxyflavone 
CAS_RN	160036-24-8 
FORMULA	C21H20O7 
EXACTMASS	384.120902994 
AVERAGEMASS	384.37929999999994 
SMILES	c(c3)(ccc(OCC=C(C)C)c3)C(O2)=C(C(c(c21)c(cc(c1OC)O)O)=O)O 
M  END