Mol:FL2FECNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -2.0494   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0494   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4931   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.1758   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1758   -0.1760    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.3805    0.1452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.2988   -0.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8658    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8658    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2988    1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7319    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.4326    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1471    0.7145    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 
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  7 17  2  0  0  0  0 
 15 18  1  0  0  0  0 
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 22 23  1  0  0  0  0 
 14 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  24  25 
M  SBL   3  1  26 
M  SMT   3  OCH3 
M  SVB   3 26    2.4326     1.127 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  22  23 
M  SBL   2  1  24 
M  SMT   2  OCH3 
M  SVB   2 24   -2.4067    0.4428 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  22 
M  SMT   1  OCH3 
M  SVB   1 22   -2.3221   -0.9029 
S  SKP  8 
ID	FL2FECNS0001 
KNApSAcK_ID	C00008307 
NAME	5,3'-Dihydroxy-6,7,4'-trimethoxyflavanone 
CAS_RN	111670-59-8 
FORMULA	C18H18O7 
EXACTMASS	346.10525293 
AVERAGEMASS	346.33132 
SMILES	O(C(c(c3)cc(O)c(OC)c3)2)c(c(C(=O)C2)1)cc(c(c1O)OC)OC 
M  END