Mol:FL5FEANS0010

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FL5FEANS0010.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -1.8838    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8838   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3275   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7712   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7712    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3275    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2149   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3414   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3414    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2149    0.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2149   -1.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8975    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4645    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0315    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0315    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4645    1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8975    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8975   -0.8467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4399    0.4378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5983    1.4197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3275   -1.8468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3275   -2.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5983   -0.4342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5902   -0.3073    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 
  1 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
  3 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  2 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   -2.5983   -0.4342 
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   -1.7639   -1.0073 
S  SKP  8 
ID	FL5FEANS0010 
KNApSAcK_ID	C00004598 
NAME	6-Hydroxykaempferol 5,6-dimethyl ether;3,7-Dihydroxy-2-(4-hydroxyphenyl)-5,6-dimethoxy-4H-1-benzopyran-4-one 
CAS_RN	87339-62-6 
FORMULA	C17H14O7 
EXACTMASS	330.073952802 
AVERAGEMASS	330.28886 
SMILES	COc(c(O)3)c(OC)c(C(=O)1)c(c3)OC(c(c2)ccc(O)c2)=C(O)1 
M  END
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