Mol:FL2FF9NS0006

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FL2FF9NS0006.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -1.7790    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7790   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2227   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6664   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6664    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2227    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1101   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4462   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4462    0.1167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.1101    0.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0023    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5693    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1362    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1362    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5693    1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0023    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1101   -1.3906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1362    0.7355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6361    1.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9447    1.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5083    1.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6591   -1.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9447   -1.4198    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 
  3 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   -1.6591   -1.0073 
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     1.011 
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    0.7355 
S  SKP  8 
ID	FL2FF9NS0006 
KNApSAcK_ID	C00008158 
NAME	5,7,8-Trimethoxyflavanone 
CAS_RN	69616-73-5 
FORMULA	C18H18O5 
EXACTMASS	314.115423686 
AVERAGEMASS	314.33252 
SMILES	O(C2c(c3)cccc3)c(c1OC)c(C(=O)C2)c(OC)cc1OC 
M  END
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