Mol:FL5FGCNS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -1.3011   -1.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7552   -1.3973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3757   -1.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5420   -2.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0878   -2.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4673   -2.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1625   -2.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3287   -2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8745   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2540   -3.2587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.8426   -4.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3796   -5.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.6808   -1.6853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -5.2605   -3.4885    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 
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  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
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  1 18  1  0  0  0  0 
  6 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
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  2 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
  8 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  25  26 
M  SBL   2  1  27 
M  SMT   2  OCH3 
M  SVB   2 27    0.5403   -1.0246 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  23  24 
M  SBL   1  1  25 
M  SMT   1  OCH3 
M  SVB   1 25   -2.5983   -0.7269 
S  SKP  8 
ID	FL5FGCNS0002 
KNApSAcK_ID	C00004787 
NAME	5,7,8,3',4'-Pentahydroxy-3,6-dimethoxyflavone 
CAS_RN	96887-22-8 
FORMULA	C17H14O9 
EXACTMASS	362.06378204600003 
AVERAGEMASS	362.28765999999996 
SMILES	COc(c(O)1)c(O)c(C(=O)2)c(OC(c(c3)cc(O)c(O)c3)=C(OC)2)c(O)1 
M  END