Mol:FL5FF8NS0007

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
   -2.0624    0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0624   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5061   -0.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9498   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9498    0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5061    0.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3935   -0.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1628   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1628    0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3935    0.3268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3935   -1.4588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7189    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2859   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8528    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8528    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2859    1.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7189    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5061   -1.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4197   -0.0006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617    1.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1382    2.4662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0288   -1.1368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8948   -1.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4197    0.6243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9198    1.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2281    0.8998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7916    1.7995    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 
  3 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
 17 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  8 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  1 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
  6 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  26  27 
M  SBL   4  1  28 
M  SMT   4  OCH3 
M  SVB   4 28   -1.2281    0.8998 
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   -2.4197    0.6243 
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    0.3617    -0.843 
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    0.3617    1.6001 
S  SKP  8 
ID	FL5FF8NS0007 
KNApSAcK_ID	C00004720 
NAME	5,5'-Dihydroxy-3,7,8,2'-tetramethoxyflavone 
CAS_RN	117278-71-4 
FORMULA	C19H18O8 
EXACTMASS	374.100167552 
AVERAGEMASS	374.34142 
SMILES	c(c(C(O2)=C(C(c(c(O)3)c2c(c(OC)c3)OC)=O)OC)1)(OC)ccc(O)c1 
M  END