Mol:FL5FEGNS0008

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 30  0  0  0  0  0  0  0  0999 V2000 
   -1.2602   -0.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8164   -0.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8165   -1.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2601   -1.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7039   -1.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7039   -0.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2602   -2.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7038   -2.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1476   -2.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1476   -1.9489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6939   -2.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4085   -2.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4085   -3.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9755   -3.8943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5425   -3.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5425   -2.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9755   -2.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2602   -0.0221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3725   -1.9488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0425   -4.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1831   -2.8698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1809   -2.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9749   -0.2827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1180   -1.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7038   -3.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7038   -4.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9755   -4.8943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9755   -5.8943    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 
 16 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  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 
 14 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    2.0624    -0.022 
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    0.3617   -0.9854 
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   -2.7769   -0.6877 
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    1.5693    1.7424 
S  SKP  8 
ID	FL5FEGNS0008 
KNApSAcK_ID	C00004828 
NAME	5,7,4'-Trihydroxy-3,6,3',5'-tetramethoxyflavone 
CAS_RN	63296-16-2 
FORMULA	C19H18O9 
EXACTMASS	390.095082174 
AVERAGEMASS	390.34082 
SMILES	c(c3OC)(O)cc(O1)c(c3O)C(C(=C1c(c2)cc(c(c(OC)2)O)OC)OC)=O 
M  END