Mol:FL2FFCNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
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    0.2622   -0.1368    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.2941    0.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853   -0.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853    1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -1.6441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.5191    0.1843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.1967    0.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6687    1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1101    2.6397    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 
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  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
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  7 17  2  0  0  0  0 
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  1 19  1  0  0  0  0 
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  6 21  1  0  0  0  0 
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 23 24  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  25 
M  SMT   2  OCH3 
M  SVB   2 25    1.6687    1.7424 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23   -0.7454    0.4197 
S  SKP  8 
ID	FL2FFCNS0001 
KNApSAcK_ID	C00008306 
NAME	5,7,4'-Trihydroxy-8,3'-dimethoxyflavanone 
CAS_RN	100009-93-6 
FORMULA	C17H16O7 
EXACTMASS	332.089602866 
AVERAGEMASS	332.30474 
SMILES	COc(c(O)3)cc(cc3)C(C1)Oc(c(OC)2)c(c(O)cc(O)2)C(=O)1 
M  END