Mol:FL5FEANS0013

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -2.3202    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3202   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7639   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2076   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2076    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7639    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6513   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0950   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0950    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6513    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6513   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4611    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0281    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5950    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5950    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0281    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4611    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4611   -0.8121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8763   -0.8121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7639   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6775    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1776    1.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1618    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8763    1.0418    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 
  2 19  1  0  0  0  0 
  3 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 
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    2.1618    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   -2.6775      0.77 
S  SKP  8 
ID	FL5FEANS0013 
KNApSAcK_ID	C00004601 
NAME	3,5,6-Trihydroxy-7,4'-dimethoxyflavone;3,5,6-Trihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one 
CAS_RN	99499-82-8 
FORMULA	C17H14O7 
EXACTMASS	330.073952802 
AVERAGEMASS	330.28886 
SMILES	COc(c3)ccc(c3)C(O1)=C(O)C(=O)c(c(O)2)c(cc(OC)c(O)2)1 
M  END