Mol:FL2F39NS0002

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FL2F39NS0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 21 23  0  0  0  0  0  0  0  0999 V2000 
   -1.7790    0.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7790   -0.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2227   -0.8614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6664   -0.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6664    0.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2227    0.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1101   -0.8614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4462   -0.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4462    0.1021    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.1101    0.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0023    0.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5693    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1362    0.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1362    1.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5693    1.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0023    1.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1101   -1.4052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1362    0.7209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6361    1.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9447    0.9963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5082    1.8960    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  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
  6 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
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   -0.9447    0.9963 
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   -2.1362    0.7209 
S  SKP  8 
ID	FL2F39NS0002 
KNApSAcK_ID	C00008130 
NAME	7,8-Dimethoxyflavanone 
CAS_RN	73413-67-9 
FORMULA	C17H16O4 
EXACTMASS	284.104859 
AVERAGEMASS	284.30654 
SMILES	COc(c3)c(OC)c(O1)c(c3)C(=O)CC(c(c2)cccc2)1 
M  END
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