Mol:FL5FDANS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -2.0624    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0624   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5061   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9498   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9498    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5061    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3935   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1628   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1628    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3935    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3935   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7189    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2859    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8528    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8528    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2859    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7189    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5061   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4197    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4197    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9198    1.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0288   -0.9911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8948   -1.4911    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 
  3 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
  1 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  8 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  22  23 
M  SBL   2  1  24 
M  SMT   2  OCH3 
M  SVB   2 24    0.3617   -0.6973 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  22 
M  SMT   1  OCH3 
M  SVB   1 22   -2.4197      0.77 
S  SKP  8 
ID	FL5FDANS0003 
KNApSAcK_ID	C00004569 
NAME	Kumatakenin;Kumatakillin;5,4'-Dihydroxy-3,7-dimethoxyflavone;Jaranol;Kaempferol 3,7-O-dimethyl ether;5-Hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-4H-1-benzopyran-4-one 
CAS_RN	3301-49-3 
FORMULA	C17H14O6 
EXACTMASS	314.07903818 
AVERAGEMASS	314.28945999999996 
SMILES	COc(c3)cc(O1)c(c(O)3)C(=O)C(OC)=C1c(c2)ccc(O)c2 
M  END