Mol:FL5FEANI0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 30  0  0  0  0  0  0  0  0999 V2000 
   -3.0121    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0121   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4558   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8995   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8995    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4558    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3432   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7869   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7869    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.9032    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9032    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3362    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2308    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.2071   -0.7975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.4700    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0356    1.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6001    1.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1633    1.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1633    0.4780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7265    1.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7265   -0.3996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0121   -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 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
 18  1  1  0  0  0  0 
  8 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
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 24 26  1  0  0  0  0 
  2 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  27  28 
M  SBL   1  1  29 
M  SMT   1 ^OCH3 
M  SBV   1 29   -6.5068    3.3777 
S  SKP  8 
ID	FL5FEANI0001 
KNApSAcK_ID	C00004998 
NAME	3,5,7-Trihydroxy-6-methoxy-4'-prenyloxyflavone 
CAS_RN	160036-25-9 
FORMULA	C21H20O7 
EXACTMASS	384.120902994 
AVERAGEMASS	384.37929999999994 
SMILES	c(c3)(ccc(OCC=C(C)C)c3)C(=C2O)Oc(c1C2=O)cc(c(c1O)OC)O 
M  END