Mol:FL3F99NS0008

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FL3F99NS0008.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -1.8158   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8158   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.4094   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1469    0.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1469   -1.6357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9655    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5324   -0.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0994    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0994    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5324    1.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9655    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2595   -2.1349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2595   -3.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8158    1.7079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5303    1.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5303   -0.7222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5222   -0.5952    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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  3 18  1  0  0  0  0 
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 16 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  2 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  22  23 
M  SBL   3  1  24 
M  SMT   3  OCH3 
M  SVB   3 24   -2.5303   -0.7222 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  20  21 
M  SBL   2  1  22 
M  SMT   2  OCH3 
M  SVB   2 22    1.8158    1.7079 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  18  19 
M  SBL   1  1  20 
M  SMT   1  OCH3 
M  SVB   1 20    -1.696   -1.2954 
S  SKP  8 
ID	FL3F99NS0008 
KNApSAcK_ID	C00003814 
NAME	5,6,3'-Trimethoxyflavone 
CAS_RN	17182-55-7 
FORMULA	C18H16O5 
EXACTMASS	312.099773622 
AVERAGEMASS	312.31664 
SMILES	c(c3OC)(OC)ccc(c13)OC(c(c2)cc(OC)cc2)=CC1=O 
M  END
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