Mol:FL5F3ANS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 24  0  0  0  0  0  0  0  0999 V2000 
   -1.9630    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9630   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067   -0.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8504   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8504    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067    0.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -0.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2622   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2622    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941    0.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -1.3837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183    0.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853    0.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523    0.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523    1.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853    1.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183    1.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5191    0.4017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5191    1.3836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067    1.0439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1282   -1.0617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9943   -1.5616    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 
  1 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
  6 20  1  0  0  0  0 
  8 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
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    0.4611    -0.768 
S  SKP  8 
ID	FL5F3ANS0002 
KNApSAcK_ID	C00004576 
NAME	7,8,4'-Trihydroxy-3-methoxyflavone 
CAS_RN	57499-05-5 
FORMULA	C16H12O6 
EXACTMASS	300.063388116 
AVERAGEMASS	300.26288 
SMILES	COC(C(=O)2)=C(Oc(c(O)3)c(ccc(O)3)2)c(c1)ccc(O)c1 
M  END