Mol:FL2F9CNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -3.1137   -1.6487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5875   -1.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.8638    0.5426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3901    0.1741    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -4.3340   -0.4657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9720    0.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.0290    1.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.6224    1.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -5.5083    0.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8362    0.5830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.7322    1.8180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -7.3058    2.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -6.7362    0.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -7.7244    0.0954    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 
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 11 12  2  0  0  0  0 
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  7 17  2  0  0  0  0 
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 20 21  1  0  0  0  0 
 15 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    1.3907    1.6933 
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   -2.9555   -0.7369 
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     2.241    1.1171 
S  SKP  8 
ID	FL2F9CNS0001 
KNApSAcK_ID	C00008275 
NAME	6,3',4'-Trimethoxyflavanone 
CAS_RN	77822-21-0 
FORMULA	C18H18O5 
EXACTMASS	314.115423686 
AVERAGEMASS	314.33252 
SMILES	C(c12)(=O)CC(c(c3)cc(OC)c(OC)c3)Oc1ccc(OC)c2 
M  END