Mol:FL5FEGNS0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
   -1.0578   -1.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6614   -1.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1535   -1.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0419   -2.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4384   -2.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9463   -2.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5340   -2.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4225   -3.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8189   -3.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3268   -3.1534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0047   -2.5427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7074   -4.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2089   -4.6196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0952   -5.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4800   -5.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9785   -5.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0921   -4.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5659   -1.0626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7569   -1.4489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3063   -6.4731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5966   -5.6850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2250   -0.6826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9394   -1.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5341   -5.5307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1581   -6.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1885   -3.9895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9545   -4.6323    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  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
 14 21  1  0  0  0  0 
  2 22  1  0  0  0  0 
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 16 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
  8 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  26  27 
M  SBL   3  1  28 
M  SMT   3  OCH3 
M  SVB   3 28    0.5403   -0.9854 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  24  25 
M  SBL   2  1  26 
M  SMT   2  OCH3 
M  SVB   2 26    1.7479    1.7424 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  24 
M  SMT   1  OCH3 
M  SVB   1 24   -2.5983   -0.6877 
S  SKP  8 
ID	FL5FEGNS0004 
KNApSAcK_ID	C00004824 
NAME	5,7,3',4'-Tetrahydroxy-3,6,5'-trimethoxyflavone 
CAS_RN	74517-68-3 
FORMULA	C18H16O9 
EXACTMASS	376.07943210999997 
AVERAGEMASS	376.31424 
SMILES	c(c3OC)(O)cc(O1)c(c3O)C(C(=C1c(c2)cc(OC)c(O)c(O)2)OC)=O 
M  END