Mol:FL5FDBNF0001

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FL5FDBNF0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 31  0  0  0  0  0  0  0  0999 V2000 
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    0.6028   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6028    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0465    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0465   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.1589    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0661   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2334    0.3498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6109   -0.1699    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -2.2334   -0.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2530   -0.1699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5741   -0.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5741    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4688   -0.9911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3348   -1.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8596    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5741    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 
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 17 12  1  0  0  0  0 
  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
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 22 23  1  0  0  0  0 
 22 24  2  0  0  0  0 
  8 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 15 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  27  28 
M  SBL   2  1  30 
M  SMT   2  OCH3 
M  SVB   2 30    2.8596    1.4543 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  25  26 
M  SBL   1  1  28 
M  SMT   1  OCH3 
M  SVB   1 28    0.8016   -0.6973 
S  SKP  8 
ID	FL5FDBNF0001 
KNApSAcK_ID	C00005097 
NAME	Vellokaempferol 3,4'-dimethyl ether 
CAS_RN	- 
FORMULA	C22H20O6 
EXACTMASS	380.125988372 
AVERAGEMASS	380.3906 
SMILES	O=C(C=3OC)c(c(OC(c(c4)ccc(OC)c4)3)1)c(O)c(C2)c(OC(C(C)=C)2)c1 
M  END
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