Mol:FL5FFLNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -2.4197    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4197   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8634   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3070   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3070    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8634    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1944   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1944    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4956    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4956    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617   -0.8121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8634   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2052    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7769    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2769    1.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0624    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7769    1.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5853    1.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1487    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 
  8 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 17 20  1  0  0  0  0 
  1 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 15 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
  6 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  25  26 
M  SBL   3  1  27 
M  SMT   3  OCH3 
M  SVB   3 27   -1.5853    1.0455 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  25 
M  SMT   2  OCH3 
M  SVB   2 25    2.0624    1.4543 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23   -2.7769      0.77 
S  SKP  8 
ID	FL5FFLNS0001 
KNApSAcK_ID	C00004716 
NAME	3,5,2'-Trihydroxy-7,8,4'-trimethoxyflavone 
CAS_RN	135905-58-7 
FORMULA	C18H16O8 
EXACTMASS	360.08451748799996 
AVERAGEMASS	360.31484 
SMILES	c(c1OC)(OC)cc(c(C3=O)c(OC(=C3O)c(c2)c(O)cc(OC)c2)1)O 
M  END