Mol:FL5FALNS0008

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -1.9630    0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9630   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067   -0.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8504   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8504    0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067    0.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -0.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2622   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2622    0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941    0.3268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -1.4588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853    1.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5191    0.3266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067   -1.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5191    1.3086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5191   -0.0006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1282   -1.1368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9942   -1.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4611    1.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0388    2.4662    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 
  3 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
 14 21  1  0  0  0  0 
  8 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 17 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  24  25 
M  SBL   2  1  26 
M  SMT   2  OCH3 
M  SVB   2 26    0.4611    1.6001 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  24 
M  SMT   1  OCH3 
M  SVB   1 24    0.4611    -0.843 
S  SKP  8 
ID	FL5FALNS0008 
KNApSAcK_ID	C00004749 
NAME	5,7,4',5'-Tetrahydroxy-3,2'-dimethoxyflavone 
CAS_RN	113744-08-4 
FORMULA	C17H14O8 
EXACTMASS	346.068867424 
AVERAGEMASS	346.28826 
SMILES	COc(c3)c(cc(O)c(O)3)C(O1)=C(OC)C(=O)c(c(O)2)c(cc(O)c2)1 
M  END