Mol:FL5FGLNS0006

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 31  0  0  0  0  0  0  0  0999 V2000 
   -3.2502   -0.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6175   -0.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3978   -0.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8107    0.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4434    0.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6631   -0.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5910    0.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0039    1.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6366    1.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8563    0.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0978    0.9790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0493    1.7645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8254    2.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2462    2.8812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.8909    2.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.1149    2.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6940    1.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4697   -1.5222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7655   -0.0921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9179    1.0358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0224    3.4962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7090   -1.5217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2966   -0.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.3117    3.2689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.0295    4.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6619    2.3238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3198    3.2635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2757   -0.2524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.2375    0.0212    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 
 17 20  1  0  0  0  0 
 14 21  1  0  0  0  0 
  2 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 15 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 
  6 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  28  29 
M  SBL   4  1  30 
M  SMT   4  OCH3 
M  SVB   4 30   -1.4067    1.0455 
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     0.183   -0.6973 
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     2.241    1.4543 
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   -2.9555   -0.3996 
S  SKP  8 
ID	FL5FGLNS0006 
KNApSAcK_ID	C00004850 
NAME	5,7,2',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone 
CAS_RN	99816-57-6 
FORMULA	C19H18O10 
EXACTMASS	406.089996796 
AVERAGEMASS	406.34022000000004 
SMILES	c(c(C(O2)=C(C(c(c3O)c2c(c(c3OC)O)OC)=O)OC)1)(O)cc(OC)c(O)c1 
M  END