Mol:FL5FGGNS0006

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 32  0  0  0  0  0  0  0  0999 V2000 
   -2.6455   -1.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3243   -1.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6455   -0.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2878   -0.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6090   -1.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2878   -1.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6090   -0.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2514   -0.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5725   -0.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2514   -1.3412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3586    0.2052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.2147   -0.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.5420   -0.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.1967   -0.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.5240   -0.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.1967   -1.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.5420   -1.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3244   -2.4536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3244   -0.2288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -7.3900   -0.2849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8357   -1.8705    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 
   -4.7514    0.6374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.2515    1.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.7302   -1.7090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -7.5611   -2.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.6966    0.6481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -7.1966    1.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8151   -2.2547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6430   -2.8156    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 
  2 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  8 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 16 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 
  6 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
M  STY  1   5 SUP 
M  SLB  1   5   5 
M  SAL   5  2  29  30 
M  SBL   5  1  31 
M  SMT   5  OCH3 
M  SVB   5 31   -1.2281    0.7574 
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    1.5693    1.7424 
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    0.3617   -0.9854 
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   -2.7769   -0.6877 
S  SKP  8 
ID	FL5FGGNS0006 
KNApSAcK_ID	C00004863 
NAME	5,7,4'-Trihydroxy-3,6,8,3',5'-pentamethoxyflavone 
CAS_RN	96887-19-3 
FORMULA	C20H20O10 
EXACTMASS	420.10564686 
AVERAGEMASS	420.3668 
SMILES	C(O2)(c(c3)cc(OC)c(O)c3OC)=C(C(c(c21)c(c(c(O)c1OC)OC)O)=O)OC 
M  END