Mol:FL5FELNS0010

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 30  0  0  0  0  0  0  0  0999 V2000 
   -2.3202    0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3202   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7639   -0.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2076   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2076    0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7639    0.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6513   -0.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0950   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0950    0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6513    0.3268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6513   -1.4588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4611    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0281   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5950    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5950    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0281    1.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4611    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8763   -0.9578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7639   -1.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1618   -0.0006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7710   -1.1368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6370   -1.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1038    1.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3962    2.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1618    1.3086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8763    0.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6775    0.6243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1776    1.4903    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 
  2 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 14 20  1  0  0  0  0 
  8 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 17 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 15 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
  1 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  27  28 
M  SBL   4  1  29 
M  SMT   4  OCH3 
M  SVB   4 29   -2.6775    0.6243 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  25  26 
M  SBL   3  1  27 
M  SMT   3  OCH3 
M  SVB   3 27    2.1618    1.3086 
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    0.1038    1.6001 
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    0.1038    -0.843 
S  SKP  8 
ID	FL5FELNS0010 
KNApSAcK_ID	C00004813 
NAME	5,6,5'-Trihydroxy-3,7,2',4'-tetramethoxyflavone 
CAS_RN	80496-65-7 
FORMULA	C19H18O9 
EXACTMASS	390.095082174 
AVERAGEMASS	390.34082 
SMILES	c(c3O)(OC)cc(O1)c(c3O)C(C(=C1c(c(OC)2)cc(O)c(OC)c2)OC)=O 
M  END