Mol:FL5FEANS0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -1.8838    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8838   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3275   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7712   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7712    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3275    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2149   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3414   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3414    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2149    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2149   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8975    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4645    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0315    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0315    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4645    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8975    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8975   -0.8121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4399    0.4723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3275   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5983    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5983   -0.3996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8838   -0.8121    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 
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 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
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 17 12  1  0  0  0  0 
  8 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
  2 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
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  SBV   1 24   -7.2141    3.7696 
S  SKP  8 
ID	FL5FEANS0005 
KNApSAcK_ID	C00004593 
NAME	6-Methoxykaempferol;3,5,7,4'-Tetrahydroxy-6-methoxyflavone;3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one 
CAS_RN	32520-55-1 
FORMULA	C16H12O7 
EXACTMASS	316.058302738 
AVERAGEMASS	316.26228000000003 
SMILES	COc(c(O)3)c(O)c(C(=O)1)c(c3)OC(c(c2)ccc(O)c2)=C(O)1 
M  END